3-[[3-(cyclobutylcarbonylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclobutylcarbonylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclobutyl(oxo)methyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclobutanecarbonylamino)-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H34N6O5 MolecularWeight: 570.63886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H34N6O5/c38-28(39)18-25(23-7-2-11-32-19-23)34-30(41)22-9-10-27(26(17-22)35-29(40)21-5-1-6-21)36-13-4-14-37(16-15-36)31(42)24-8-3-12-33-20-24/h2-3,7-12,17,19-21,25H,1,4-6,13-16,18H2,(H,34,41)(H,35,40)(H,38,39)