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

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-methylsulfanyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-methyl-4-methylsulfanyl-6-quinolyl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[2-methyl-4-(methylthio)-6-quinolinyl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-methyl-4-methylsulfanylquinolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[2-methyl-4-(methylthio)-6-quinolyl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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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)SC

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)SC

InChI

InChI=1S/C27H27N3O5S/c1-4-13-30(16-18-5-10-22-21(15-18)24(36-3)14-17(2)28-22)20-8-6-19(7-9-20)26(33)29-23(27(34)35)11-12-25(31)32/h1,5-10,14-15,23H,11-13,16H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/t23-/m0/s1