Compound C50H67N11O11S2

N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

CAS: 103429-31-8

Molecular Formula	`C50H67N11O11S2`
Molecular Weight	1062.3 g/mol
LogP	0.5
Topological Polar Surface Area	426.0 A2
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	15
Rotatable Bonds	16
Exact Mass	1061.4463
Heavy Atoms	74
Complexity	1930.0

Chemical Identifiers

CAS Number	103429-31-8
SMILES	`CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O`
InChIKey	`PZWWYAHWHHNCHO-UHFFFAOYSA-N`

📖 Product Overview

Compound C50H67N11O11S2 (CAS: 103429-31-8) is a chemical compound with molecular formula C50H67N11O11S2 and molecular weight 1062.3 g/mol. Its IUPAC systematic name is N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. LogP 0.5 Topological Polar Surface Area 426.0 A2 Hydrogen Bond Donors 14 Hydrogen Bond Acceptors 15 Rotatable Bonds 16 Exact Mass 1061.4463 Heavy Atoms 74 Complexity 1930.0 InChI Key: PZWWYAHWHHNCHO-UHFFFAOYSA-N. SMILES: CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O.

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