2-[2-(3-hexadecanoyloxyoctadecanoylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C47H79N3O6 MolecularWeight: 782.14666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C47H79N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-40(56-46(53)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-44(51)49-38-45(52)50-43(47(54)55)35-39-37-48-42-33-30-29-32-41(39)42/h29-30,32-33,37,40,43,48H,3-28,31,34-36,38H2,1-2H3,(H,49,51)(H,50,52)(H,54,55)