Compound C31H40N6O7S

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide

CAS: 78410-57-8

Molecular Formula	`C31H40N6O7S`
Molecular Weight	640.8 g/mol
LogP	1.4
Topological Polar Surface Area	234.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	17
Exact Mass	640.26794
Heavy Atoms	45
Complexity	1000.0

Chemical Identifiers

CAS Number	78410-57-8
SMILES	`C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCNC=O)NC(=O)C(CC3=CC=C(C=C3)O)N`
InChIKey	`RQBSKKBNALPMSL-UHFFFAOYSA-N`

📖 Product Overview

Compound C31H40N6O7S (CAS: 78410-57-8) is a chemical compound with molecular formula C31H40N6O7S and molecular weight 640.8 g/mol. Its IUPAC systematic name is 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide. LogP 1.4 Topological Polar Surface Area 234.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 9 Rotatable Bonds 17 Exact Mass 640.26794 Heavy Atoms 45 Complexity 1000.0 InChI Key: RQBSKKBNALPMSL-UHFFFAOYSA-N. SMILES: C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCNC=O)NC(=O)C(CC3=CC=C(C=C3)O)N.

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