methyl (4S)-5-[cyano(methyl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (4S)-5-[cyano(methyl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (4S)-4-(benzyloxycarbonylamino)-5-[cyano(methyl)amino]-5-oxo-pentanoate CAS Name: (4S)-5-[cyano(methyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (4S)-5-[cyano(methyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-[cyano(methyl)amino]-5-keto-valeric acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CCC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CN(C#N)C(=O)[C@H](CCC(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H19N3O5/c1-19(11-17)15(21)13(8-9-14(20)23-2)18-16(22)24-10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,18,22)/t13-/m0/s1