2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxo-4-phenylbutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-phenylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(CC3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(CC3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H26N2O6/c31-23(12-17-6-2-1-3-7-17)26(18-10-11-24-25(14-18)36-16-35-24)27(32)30-22(28(33)34)13-19-15-29-21-9-5-4-8-20(19)21/h1-11,14-15,22-23,26,29,31H,12-13,16H2,(H,30,32)(H,33,34)