2-[[4-[[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2S)-2-methyl-4-oxo-2,3-dihydro-1H-quinolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2S)-2-methyl-4-oxo-2,3-dihydro-1H-quinolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2S)-2-methyl-4-oxo-2,3-dihydro-1H-quinolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2S)-4-keto-2-methyl-2,3-dihydro-1H-quinolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C[C@H]1CC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H27N3O6/c1-3-12-29(15-17-4-9-21-20(14-17)23(30)13-16(2)27-21)19-7-5-18(6-8-19)25(33)28-22(26(34)35)10-11-24(31)32/h1,4-9,14,16,22,27H,10-13,15H2,2H3,(H,28,33)(H,31,32)(H,34,35)/t16-,22?/m0/s1