[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c1-9(19)13(7-18)14(21)8-24-16(23)10(2)20-15(22)11-3-5-12(17)6-4-11/h3-6,10,13,19H,8H2,1-2H3,(H,20,22)/t10-,13-/m0/s1