(2R)-2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[2-(p-toluoylamino)benzoyl]amino]butyrate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-13-7-9-14(10-8-13)18(23)21-16-6-4-3-5-15(16)19(24)22-17(20(25)26)11-12-27-2/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t17-/m1/s1