3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3,3-dimethyl-butanoyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3,3-dimethyl-butanoyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3,3-dimethyl-butanoyl]piperidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-2-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3,3-dimethylbutanoyl]piperidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3,3-dimethyl-butanoyl]pipecoloyl]amino]-4-keto-butyric acid Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C26H32N4O6/c1-26(2,3)22(29-24(35)21-18-9-5-4-8-16(18)11-12-27-21)25(36)30-13-7-6-10-19(30)23(34)28-17(15-31)14-20(32)33/h4-5,8-9,11-12,15,17,19,22H,6-7,10,13-14H2,1-3H3,(H,28,34)(H,29,35)(H,32,33)