Unk-Dab-DL-Thr-Dab-Dab(1)-Dab-D-Leu-xiIle-Dab-D-Dab-xiThr-(1)

Name: Unk-Dab-DL-Thr-Dab-Dab(1)-Dab-D-Leu-xiIle-Dab-D-Dab-xiThr-(1)
Brand: CoreyChem
SKU: CAS:5854-98-8
Price: Contact for pricing USD
Availability: InStock

N-[(2S)-4-amino-1-[[(3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-butan-2-yl-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide

Also Known As: Circulin A|RefChem:1100655|AC1L22PP|Circulin A (Bacillus circulans)|Circulin A (Bacillus circulans) (9CI)|Unk-Dab-DL-Thr-Dab-Dab(1)-Dab-D-Leu-xiIle-Dab-D-Dab-xiThr-(1)|N-[(2S)-4-amino-1-[[(3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-butan-2-yl-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide|N-((2S)-4-amino-1-(((3R)-1-(((2S)-4-amino-1-oxo-1-(((3S,6R,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-butan-2-yl-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide

CAS: 5854-98-8

Molecular Formula	`C53H100N16O13`
Molecular Weight	1168.7656 g/mol
LogP	-5.44
Topological Polar Surface Area	490.66 Å²
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	18
Rotatable Bonds	29
Exact Mass	1168.7656
Heavy Atoms	82
Complexity	2069.0

Chemical Identifiers

CAS Number	5854-98-8
SMILES	`CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)C(C)CC)CCN)CCN)C(C)O`

Product Overview

Unk-Dab-DL-Thr-Dab-Dab(1)-Dab-D-Leu-xiIle-Dab-D-Dab-xiThr-(1) (CAS 5854-98-8), with molecular formula C53H100N16O13 and molecular weight 1168.7656 g/mol. IUPAC: N-[(2S)-4-amino-1-[[(3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-butan-2-yl-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide.

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