4-methylsulfanyl-2-[[2-phenyl-4-(2-phenylmethoxypropanoylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(2-phenylmethoxypropanoylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-(2-benzyloxypropanoylamino)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[(1-oxo-2-phenylmethoxypropyl)amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(2-phenylmethoxypropanoylamino)benzoyl]amino]butanoic acid Traditional Name: 2-[[4-(2-benzoxypropanoylamino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O5S/c1-19(35-18-20-9-5-3-6-10-20)26(31)29-22-13-14-23(24(17-22)21-11-7-4-8-12-21)27(32)30-25(28(33)34)15-16-36-2/h3-14,17,19,25H,15-16,18H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)