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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxyhexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-3-15(4-2)24(29)23(16-9-10-21-22(12-16)34-14-33-21)25(30)28-20(26(31)32)11-17-13-27-19-8-6-5-7-18(17)19/h5-10,12-13,15,20,23-24,27,29H,3-4,11,14H2,1-2H3,(H,28,30)(H,31,32)