2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(11E,14E)-1-oxoeicosa-11,14-dien-2-ynyl]amino]propanoic acid IUPAC Name: 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(11E,14E)-eicosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(34)33-29(31(35)36)24-26-25-32-28-22-20-19-21-27(26)28/h6-7,9-10,19-22,25,29,32H,2-5,8,11-17,24H2,1H3,(H,33,34)(H,35,36)/b7-6+,10-9+