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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H26N4O6/c1-2-17(26-22(32)20-16-7-4-3-6-14(16)9-10-24-20)23(33)27-11-5-8-18(27)21(31)25-15(13-28)12-19(29)30/h3-4,6-7,9-10,13,15,17-18H,2,5,8,11-12H2,1H3,(H,25,31)(H,26,32)(H,29,30)