3-(1H-indol-3-yl)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propionic acid Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C29H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)31-27(29(33)34)22-24-23-30-26-20-18-17-19-25(24)26/h6-7,9-10,17-20,23,27,30H,2-5,8,11-16,21-22H2,1H3,(H,31,32)(H,33,34)/b7-6-,10-9-