3-[[3-(cyclobutylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclobutylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclobutyl(oxo)methyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H36N6O6 MolecularWeight: 564.63274

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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)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C29H36N6O6/c36-26(37)18-23(22-5-2-8-30-19-22)31-28(39)21-6-7-25(24(17-21)32-27(38)20-3-1-4-20)33-9-11-34(12-10-33)29(40)35-13-15-41-16-14-35/h2,5-8,17,19-20,23H,1,3-4,9-16,18H2,(H,31,39)(H,32,38)(H,36,37)