methyl (2S)-2-azanyl-5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(4-cyanoanilino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(4-cyanoanilino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(4-cyanoanilino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-(4-cyanoanilino)-5-keto-valeric acid methyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)C#N)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)C#N)N

InChI

InChI=1S/C13H15N3O3/c1-19-13(18)11(15)6-7-12(17)16-10-4-2-9(8-14)3-5-10/h2-5,11H,6-7,15H2,1H3,(H,16,17)/t11-/m0/s1