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

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-pyridin-3-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-(3-pyridyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-(3-pyridyl)propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C27H27N5O6 MolecularWeight: 517.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C27H27N5O6/c33-16-19(14-23(34)35)30-25(36)22-8-4-12-32(22)27(38)21(13-17-5-3-10-28-15-17)31-26(37)24-20-7-2-1-6-18(20)9-11-29-24/h1-3,5-7,9-11,15-16,19,21-22H,4,8,12-14H2,(H,30,36)(H,31,37)(H,34,35)