2-(3,3-dimethylbutanoylamino)-7-[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)carbonylamino]octanedioic acid

Systemtic Name: 2-(3,3-dimethylbutanoylamino)-7-[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)carbonylamino]octanedioic acid Openeye Name: 2-(3,3-dimethylbutanoylamino)-7-[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]octanedioic acid CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-7-[[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-oxomethyl]amino]octanedioic acid IUPAC Name: 2-(3,3-dimethylbutanoylamino)-7-[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]octanedioic acid Traditional Name: 2-(3,3-dimethylbutanoylamino)-7-[(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbonyl)amino]suberic acid Formula: C26H39N3O7 MolecularWeight: 505.60376

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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(=CC=C2)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O7/c1-26(2,3)15-21(30)27-18(24(32)33)10-6-7-11-19(25(34)35)28-23(31)22-17-9-8-12-20(36-5)16(17)13-14-29(22)4/h8-9,12,18-19,22H,6-7,10-11,13-15H2,1-5H3,(H,27,30)(H,28,31)(H,32,33)(H,34,35)