[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-10-5-4-6-11(2)14(10)19-13(20)9-23-15(21)12(7-8-24-3)18-16(17)22/h4-6,12H,7-9H2,1-3H3,(H,19,20)(H3,17,18,22)/t12-/m0/s1