3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(oxolan-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(oxolan-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-[[oxo(2-oxolanyl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(oxolane-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazino]-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H36N6O7 MolecularWeight: 580.63214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)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(OC1)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/C29H36N6O7/c36-26(37)18-22(21-3-1-7-30-19-21)31-27(38)20-5-6-24(23(17-20)32-28(39)25-4-2-14-42-25)33-8-10-34(11-9-33)29(40)35-12-15-41-16-13-35/h1,3,5-7,17,19,22,25H,2,4,8-16,18H2,(H,31,38)(H,32,39)(H,36,37)