[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-10(20)11-3-5-12(6-4-11)18-14(21)9-24-15(22)13(7-8-25-2)19-16(17)23/h3-6,13H,7-9H2,1-2H3,(H,18,21)(H3,17,19,23)/t13-/m0/s1