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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O6/c1-13(25-21(32)19-16-5-3-2-4-14(16)6-7-24-19)22(33)27-9-8-23-11-17(27)20(31)26-15(12-28)10-18(29)30/h2-7,12-13,15,17,23H,8-11H2,1H3,(H,25,32)(H,26,31)(H,29,30)