[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-10-4-5-13(23-2)12(8-10)18-14(20)9-24-15(21)11(6-7-25-3)19-16(17)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,20)(H3,17,19,22)/t11-/m0/s1