3-[[3-benzamido-4-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(tetrahydrofuran-2-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H33N5O6 MolecularWeight: 571.62362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O6/c37-28(38)19-24(23-8-4-12-32-20-23)33-30(40)22-10-11-26(25(18-22)34-29(39)21-6-2-1-3-7-21)35-13-15-36(16-14-35)31(41)27-9-5-17-42-27/h1-4,6-8,10-12,18,20,24,27H,5,9,13-17,19H2,(H,33,40)(H,34,39)(H,37,38)