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

Systemtic Name: (2S)-2-[[4-[(4-bromanyl-2-methyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(4-bromo-2-methyl-6-quinolyl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(4-bromo-2-methyl-6-quinolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-bromo-2-methylquinolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-bromo-2-methyl-6-quinolyl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H24BrN3O5 MolecularWeight: 538.38986

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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)Br

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)Br

InChI

InChI=1S/C26H24BrN3O5/c1-3-12-30(15-17-4-9-22-20(14-17)21(27)13-16(2)28-22)19-7-5-18(6-8-19)25(33)29-23(26(34)35)10-11-24(31)32/h1,4-9,13-14,23H,10-12,15H2,2H3,(H,29,33)(H,31,32)(H,34,35)/t23-/m0/s1