[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-methyl-butanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (2S)-3-methyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-3-methylbutanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-ureido-butyric acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)N

InChI

InChI=1S/C15H17ClN4O4/c1-8(2)13(20-15(18)23)14(22)24-7-12(21)19-11-5-10(16)4-3-9(11)6-17/h3-5,8,13H,7H2,1-2H3,(H,19,21)(H3,18,20,23)/t13-/m0/s1