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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]piperidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]-2-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)propanoyl]pipecoloyl]amino]-4-keto-butyric acid Formula: C23H26N4O6 MolecularWeight: 454.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N1CCCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H26N4O6/c1-14(25-22(32)20-17-7-3-2-6-15(17)9-10-24-20)23(33)27-11-5-4-8-18(27)21(31)26-16(13-28)12-19(29)30/h2-3,6-7,9-10,13-14,16,18H,4-5,8,11-12H2,1H3,(H,25,32)(H,26,31)(H,29,30)