[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-18(11-6-4-3-5-7-11)13(19)10-22-14(20)12(8-9-23-2)17-15(16)21/h3-7,12H,8-10H2,1-2H3,(H3,16,17,21)/t12-/m0/s1