(2R)-2-[[2-(3,3-diphenylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(3,3-diphenylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(3,3-diphenylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[(1-oxo-3,3-diphenylpropyl)amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(3,3-diphenylpropanoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(3,3-diphenylpropanoylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4S/c31-26(19-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22)29-24(16-17-35)27(32)30-25(28(33)34)18-20-10-4-1-5-11-20/h1-15,23-25,35H,16-19H2,(H,29,31)(H,30,32)(H,33,34)/t24?,25-/m1/s1