3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[(E)-octadec-9-enyl]amino]propionic acid Formula: C29H46N2O2 MolecularWeight: 454.68774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C29H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-28(29(32)33)23-25-24-31-27-21-18-17-20-26(25)27/h9-10,17-18,20-21,24,28,30-31H,2-8,11-16,19,22-23H2,1H3,(H,32,33)/b10-9+