[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(CCSC)NC(=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)C

InChI

InChI=1S/C17H25N3O4S/c1-4-12-7-5-6-11(2)15(12)20-14(21)10-24-16(22)13(8-9-25-3)19-17(18)23/h5-7,13H,4,8-10H2,1-3H3,(H,20,21)(H3,18,19,23)/t13-/m0/s1