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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5/c30-26(29-23(27(31)32)13-19-15-28-22-9-5-4-8-20(19)22)21(12-17-6-2-1-3-7-17)18-10-11-24-25(14-18)34-16-33-24/h1-11,14-15,21,23,28H,12-13,16H2,(H,29,30)(H,31,32)