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

Systemtic Name: (2S)-2-[[4-[(2-methylquinolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-methyl-6-quinolyl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-methyl-6-quinolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-methylquinolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-methyl-6-quinolyl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5/c1-3-14-29(16-18-5-11-22-20(15-18)6-4-17(2)27-22)21-9-7-19(8-10-21)25(32)28-23(26(33)34)12-13-24(30)31/h1,4-11,15,23H,12-14,16H2,2H3,(H,28,32)(H,30,31)(H,33,34)/t23-/m0/s1