2-azanyl-3-(1-octadecanoylindol-3-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1-octadecanoylindol-3-yl)propanoic acid Openeye Name: 2-amino-3-(1-octadecanoylindol-3-yl)propanoic acid CAS Name: 2-amino-3-[1-(1-oxooctadecyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-(1-octadecanoylindol-3-yl)propanoic acid Traditional Name: 2-amino-3-(1-stearoylindol-3-yl)propionic acid Formula: C29H46N2O3 MolecularWeight: 470.68714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)N

InChI

InChI=1S/C29H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)31-23-24(22-26(30)29(33)34)25-19-17-18-20-27(25)31/h17-20,23,26H,2-16,21-22,30H2,1H3,(H,33,34)