2-[[4-[[(1-oxidanylidene-2H-isoquinolin-7-yl)methyl-prop-2-ynyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(1-oxidanylidene-2H-isoquinolin-7-yl)methyl-prop-2-ynyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(1-oxo-2H-isoquinolin-7-yl)methyl-prop-2-ynyl-amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[[(1-oxo-2H-isoquinolin-7-yl)methyl-prop-2-ynylamino]methyl]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(1-oxo-2H-isoquinolin-7-yl)methyl-prop-2-ynylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(1-keto-2H-isoquinolin-7-yl)methyl-propargyl-amino]methyl]benzoyl]amino]glutaric acid Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)CC2=CC3=C(C=C2)C=CNC3=O

Isomeric SMILES

C#CCN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)CC2=CC3=C(C=C2)C=CNC3=O

InChI

InChI=1S/C26H25N3O6/c1-2-13-29(16-18-5-6-19-11-12-27-25(33)21(19)14-18)15-17-3-7-20(8-4-17)24(32)28-22(26(34)35)9-10-23(30)31/h1,3-8,11-12,14,22H,9-10,13,15-16H2,(H,27,33)(H,28,32)(H,30,31)(H,34,35)