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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-4-methyl-piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-4-methyl-piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-4-methyl-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]-4-methylpiperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-4-methyl-piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C25H31N5O6/c1-15(2)21(28-24(35)22-18-7-5-4-6-16(18)8-9-26-22)25(36)30-11-10-29(3)13-19(30)23(34)27-17(14-31)12-20(32)33/h4-9,14-15,17,19,21H,10-13H2,1-3H3,(H,27,34)(H,28,35)(H,32,33)