methyl (2S)-4-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C17H21N3O4/c1-11(2)8-13(17(23)24-3)19-16(22)10-20-14-7-5-4-6-12(14)15(21)9-18-20/h4-7,9,11,13H,8,10H2,1-3H3,(H,19,22)/t13-/m0/s1