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

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-10-5-4-6-12(11(10)2)20-17(25)21-14(22)9-26-15(23)13(7-8-27-3)19-16(18)24/h4-6,13H,7-9H2,1-3H3,(H3,18,19,24)(H2,20,21,22,25)/t13-/m0/s1