4-methylsulfanyl-2-[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]butanoic acid Openeye Name: 2-[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]butanoic acid Traditional Name: 2-[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-4-(methylthio)butyric acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O6S/c1-17(22(29)27-20(24(31)32)13-14-35-2)26-23(30)21(15-18-9-5-3-6-10-18)28-25(33)34-16-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,30)(H,27,29)(H,28,33)(H,31,32)