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

Systemtic Name: (2R)-2-[[2-(2,2-diphenylethanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2,2-diphenylacetyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2,2-diphenylacetyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(2,2-diphenylacetyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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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)C(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)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c30-25(29-23(27(32)33)18-19-10-4-1-5-11-19)22(16-17-34)28-26(31)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,34H,16-18H2,(H,28,31)(H,29,30)(H,32,33)/t22?,23-/m1/s1