2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Name: 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Brand: CoreyChem
SKU: CAS:1397021-11-2

TL;DR: 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid (CAS 1397021-11-2) is a chemical compound with molecular formula C60H94N12O13 and molecular weight 1190.7063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

Also Known As: 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid

CAS Number

1397021-11-2

Molecular Formula

C60H94N12O13

Molecular Weight

1190.7063 g/mol

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Technical Specifications

Molecular Formula	C60H94N12O13
Molecular Weight	1190.7063 g/mol
XLogP	3.6
Topological Polar Surface Area (TPSA)	378.0 Å²
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	15
Rotatable Bonds	41
Exact Mass	1190.7063 Da
Heavy Atoms	85
Complexity	2160.0
SMILES	CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNCC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3
InChIKey	RGECYIFFRKSNLH-UHFFFAOYSA-N

Chemical Property Profile of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid

XLogP

3.6

TPSA (Topological Polar Surface Area)

378.0

Hydrogen Bond Donors

Hydrogen Bond Acceptors

Rotatable Bonds

Heavy Atoms

Complexity

2160.0

Exact Mass

1190.7063

Monoisotopic Mass

1190.7063

Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid

The XLogP value of 3.6 indicates that 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 378.0 Å² indicates high polarity, suggesting 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid?

The CAS number of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid is 1397021-11-2.

What is the molecular formula of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid?

The molecular formula of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid is C60H94N12O13.

What is the molecular weight of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid?

The molecular weight of 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid is 1190.7063 g/mol.

Where can I buy 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid?

You can request a quote for 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoyl]amino]-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.