2-(3,3-dimethylbutanoylamino)-7-[(2-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)carbonylamino]octanedioic acid

Systemtic Name: 2-(3,3-dimethylbutanoylamino)-7-[(2-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)carbonylamino]octanedioic acid Openeye Name: 2-(3,3-dimethylbutanoylamino)-7-[(6-hydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]octanedioic acid CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-7-[[(6-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-oxomethyl]amino]octanedioic acid IUPAC Name: 2-(3,3-dimethylbutanoylamino)-7-[(6-hydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]octanedioic acid Traditional Name: 2-(3,3-dimethylbutanoylamino)-7-[(6-hydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]suberic acid Formula: C25H37N3O7 MolecularWeight: 491.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CCCCC(C(=O)O)NC(=O)C1C2=C(CCN1C)C=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC(CCCCC(C(=O)O)NC(=O)C1C2=C(CCN1C)C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C25H37N3O7/c1-25(2,3)14-20(30)26-18(23(32)33)7-5-6-8-19(24(34)35)27-22(31)21-17-10-9-16(29)13-15(17)11-12-28(21)4/h9-10,13,18-19,21,29H,5-8,11-12,14H2,1-4H3,(H,26,30)(H,27,31)(H,32,33)(H,34,35)