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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]piperidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]piperidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]pipecoloyl]amino]-4-keto-butyric acid Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H30N4O6/c1-15(2)21(28-24(34)22-18-8-4-3-7-16(18)10-11-26-22)25(35)29-12-6-5-9-19(29)23(33)27-17(14-30)13-20(31)32/h3-4,7-8,10-11,14-15,17,19,21H,5-6,9,12-13H2,1-2H3,(H,27,33)(H,28,34)(H,31,32)