(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3R)-3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: (3R)-3-(4-chlorophenyl)-3-ureido-propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O4/c1-9(19)12(7-18)14(22)8-25-15(23)6-13(21-16(20)24)10-2-4-11(17)5-3-10/h2-5,12-13,19H,6,8H2,1H3,(H3,20,21,24)/t12?,13-/m1/s1