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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)OC

InChI

InChI=1S/C16H23N3O6S/c1-23-12-5-4-10(8-13(12)24-2)18-14(20)9-25-15(21)11(6-7-26-3)19-16(17)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,20)(H3,17,19,22)/t11-/m0/s1