[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC(=O)[C@@H](CCSC)NC(=O)N

InChI

InChI=1S/C15H21N3O5S/c1-22-11-5-3-4-10(8-11)17-13(19)9-23-14(20)12(6-7-24-2)18-15(16)21/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,19)(H3,16,18,21)/t12-/m1/s1