methyl (2S)-5-azanyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-5-azanyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-5-amino-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-5-amino-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-5-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]valeric acid methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(CCC(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N[C@@H](CCC(=O)N)C(=O)OC

InChI

InChI=1S/C17H22N4O4/c1-11-15(19-13(17(24)25-3)9-10-14(18)22)16(23)21(20(11)2)12-7-5-4-6-8-12/h4-8,13,19H,9-10H2,1-3H3,(H2,18,22)/t13-/m0/s1