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

Systemtic Name: 3-[2-[2-(isoquinolin-1-ylcarbonylamino)propanoylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[2-(isoquinoline-1-carbonylamino)propanoylamino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[2-(isoquinoline-1-carbonylamino)propanoylamino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[2-(isoquinoline-1-carbonylamino)propanoylamino]propanoylamino]-4-keto-butyric acid Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6/c1-11(18(28)22-12(2)19(29)24-14(10-25)9-16(26)27)23-20(30)17-15-6-4-3-5-13(15)7-8-21-17/h3-8,10-12,14H,9H2,1-2H3,(H,22,28)(H,23,30)(H,24,29)(H,26,27)