methyl (2S,3R)-3-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S,3R)-3-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2S,3R)-3-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-4-11(2)16(17(23)24-3)19-15(22)10-20-13-8-6-5-7-12(13)14(21)9-18-20/h5-9,11,16H,4,10H2,1-3H3,(H,19,22)/t11-,16+/m1/s1