(2S)-2-[[4-[(4-cyano-2-methyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(4-cyano-2-methyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(4-cyano-2-methyl-6-quinolyl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(4-cyano-2-methyl-6-quinolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-cyano-2-methylquinolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-cyano-2-methyl-6-quinolyl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=C1)C#N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=C1)C#N

InChI

InChI=1S/C27H24N4O5/c1-3-12-31(16-18-4-9-23-22(14-18)20(15-28)13-17(2)29-23)21-7-5-19(6-8-21)26(34)30-24(27(35)36)10-11-25(32)33/h1,4-9,13-14,24H,10-12,16H2,2H3,(H,30,34)(H,32,33)(H,35,36)/t24-/m0/s1