2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-pyridin-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-pyridin-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxo-3-(2-pyridinyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-pyridin-2-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H23N3O6 MolecularWeight: 473.47732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C3=CC=CC=N3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(C3=CC=CC=N3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H23N3O6/c30-24(19-7-3-4-10-27-19)23(15-8-9-21-22(12-15)35-14-34-21)25(31)29-20(26(32)33)11-16-13-28-18-6-2-1-5-17(16)18/h1-10,12-13,20,23-24,28,30H,11,14H2,(H,29,31)(H,32,33)