3-[[1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]-5-phenyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]-5-phenyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]-5-phenyl-pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]-5-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]-5-phenylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]-5-phenyl-prolyl]amino]-4-keto-butyric acid Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CCC1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)N1C(CCC1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C28H28N4O6/c1-17(30-27(37)25-21-10-6-5-7-18(21)13-14-29-25)28(38)32-22(19-8-3-2-4-9-19)11-12-23(32)26(36)31-20(16-33)15-24(34)35/h2-10,13-14,16-17,20,22-23H,11-12,15H2,1H3,(H,30,37)(H,31,36)(H,34,35)