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

Systemtic Name: 3-[2-[[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-keto-butyric acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-12(2)18(21(31)24-13(3)20(30)25-15(11-27)10-17(28)29)26-22(32)19-16-7-5-4-6-14(16)8-9-23-19/h4-9,11-13,15,18H,10H2,1-3H3,(H,24,31)(H,25,30)(H,26,32)(H,28,29)