(2R)-2-azanyl-N-[3-(phenylcarbonyl)-4-[2-(4-phenylphenyl)ethanoylamino]phenyl]-3-sulfanyl-propanamide hydrochloride

Systemtic Name: (2R)-2-azanyl-N-[3-(phenylcarbonyl)-4-[2-(4-phenylphenyl)ethanoylamino]phenyl]-3-sulfanyl-propanamide hydrochloride Openeye Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-3-sulfanyl-propanamide hydrochloride CAS Name: (2R)-2-amino-N-[3-benzoyl-4-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]phenyl]-3-mercaptopropanamide hydrochloride IUPAC Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-3-sulfanylpropanamide hydrochloride Traditional Name: (2R)-2-amino-N-[3-benzoyl-4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-3-mercapto-propionamide hydrochloride Formula: C30H28ClN3O3S MolecularWeight: 546.07962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)NC(=O)C(CS)N)C(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)NC(=O)[C@H](CS)N)C(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C30H27N3O3S.ClH/c31-26(19-37)30(36)32-24-15-16-27(25(18-24)29(35)23-9-5-2-6-10-23)33-28(34)17-20-11-13-22(14-12-20)21-7-3-1-4-8-21;/h1-16,18,26,37H,17,19,31H2,(H,32,36)(H,33,34);1H/t26-;/m0./s1