(2R)-3-phenyl-2-[[2-[(2-phenylphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[2-[(2-phenylphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[2-[(2-phenylbenzoyl)amino]-4-sulfanyl-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo-(2-phenylphenyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[2-[(2-phenylbenzoyl)amino]-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(2-phenylbenzoyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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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)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c29-24(21-14-8-7-13-20(21)19-11-5-2-6-12-19)27-22(15-16-33)25(30)28-23(26(31)32)17-18-9-3-1-4-10-18/h1-14,22-23,33H,15-17H2,(H,27,29)(H,28,30)(H,31,32)/t22?,23-/m1/s1