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

Systemtic Name: 3-[[4-aminocarbonyl-1-[2-(isoquinolin-1-ylcarbonylamino)propanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-carbamoyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[4-carbamoyl-1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-carbamoyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[4-carbamoyl-1-[2-(isoquinoline-1-carbonylamino)propanoyl]piperazine-2-carbonyl]amino]-4-keto-butyric acid Formula: C23H26N6O7 MolecularWeight: 498.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C(=O)N)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C=O)C(=O)N)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H26N6O7/c1-13(26-21(34)19-16-5-3-2-4-14(16)6-7-25-19)22(35)29-9-8-28(23(24)36)11-17(29)20(33)27-15(12-30)10-18(31)32/h2-7,12-13,15,17H,8-11H2,1H3,(H2,24,36)(H,26,34)(H,27,33)(H,31,32)