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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C24H29N5O6 MolecularWeight: 483.51696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)N1CCNCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C24H29N5O6/c1-14(2)20(28-23(34)21-17-6-4-3-5-15(17)7-8-26-21)24(35)29-10-9-25-12-18(29)22(33)27-16(13-30)11-19(31)32/h3-8,13-14,16,18,20,25H,9-12H2,1-2H3,(H,27,33)(H,28,34)(H,31,32)