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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxyhexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

CCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C24H26N2O6/c1-2-5-19(27)22(14-8-9-20-21(11-14)32-13-31-20)23(28)26-18(24(29)30)10-15-12-25-17-7-4-3-6-16(15)17/h3-4,6-9,11-12,18-19,22,25,27H,2,5,10,13H2,1H3,(H,26,28)(H,29,30)