methyl 2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-(benzylthio)-2-(tosylamino)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H30N2O5S2/c1-20-13-15-23(16-14-20)36(32,33)29-25(19-35-18-22-11-7-4-8-12-22)26(30)28-24(27(31)34-2)17-21-9-5-3-6-10-21/h3-16,24-25,29H,17-19H2,1-2H3,(H,28,30)