3-[2-[[2-(isoquinolin-1-ylcarbonylamino)-3,3-dimethyl-butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[2-(isoquinolin-1-ylcarbonylamino)-3,3-dimethyl-butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3,3-dimethyl-butanoyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[1-isoquinolinyl(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3,3-dimethylbutanoyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3,3-dimethyl-butanoyl]amino]propanoylamino]-4-keto-butyric acid Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(C(C)(C)C)NC(=O)C1=NC=CC2=CC=CC=C21

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(C(C)(C)C)NC(=O)C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C23H28N4O6/c1-13(20(31)26-15(12-28)11-17(29)30)25-22(33)19(23(2,3)4)27-21(32)18-16-8-6-5-7-14(16)9-10-24-18/h5-10,12-13,15,19H,11H2,1-4H3,(H,25,33)(H,26,31)(H,27,32)(H,29,30)