[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)C

InChI

InChI=1S/C16H23N3O4S/c1-10-6-11(2)8-12(7-10)18-14(20)9-23-15(21)13(4-5-24-3)19-16(17)22/h6-8,13H,4-5,9H2,1-3H3,(H,18,20)(H3,17,19,22)/t13-/m0/s1