[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@@H](CCSC)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C19H27N3O5S/c1-4-9-20-19(26)22-16(23)12-27-18(25)15(8-10-28-3)21-17(24)14-7-5-6-13(2)11-14/h5-7,11,15H,4,8-10,12H2,1-3H3,(H,21,24)(H2,20,22,23,26)/t15-/m1/s1