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

Systemtic Name: (2R)-2-[[2-(2-phenoxyethanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2-phenoxyacetyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-phenoxyacetyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)COC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c24-19(14-28-16-9-5-2-6-10-16)22-17(11-12-29)20(25)23-18(21(26)27)13-15-7-3-1-4-8-15/h1-10,17-18,29H,11-14H2,(H,22,24)(H,23,25)(H,26,27)/t17?,18-/m1/s1