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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[3-hydroxy-2-(isoquinoline-1-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[3-hydroxy-2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[3-hydroxy-2-(isoquinoline-1-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[3-hydroxy-2-(isoquinoline-1-carbonylamino)butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C23H26N4O7 MolecularWeight: 470.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O7/c1-13(29)19(26-22(33)20-16-6-3-2-5-14(16)8-9-24-20)23(34)27-10-4-7-17(27)21(32)25-15(12-28)11-18(30)31/h2-3,5-6,8-9,12-13,15,17,19,29H,4,7,10-11H2,1H3,(H,25,32)(H,26,33)(H,30,31)