3-[3-(2-azanylethanoyl)-4-hexadecyl-phenyl]-2-(chloranylamino)propanoic acid

Systemtic Name: 3-[3-(2-azanylethanoyl)-4-hexadecyl-phenyl]-2-(chloranylamino)propanoic acid Openeye Name: 3-[3-(2-aminoacetyl)-4-hexadecyl-phenyl]-2-(chloroamino)propanoic acid CAS Name: 3-[3-(2-amino-1-oxoethyl)-4-hexadecylphenyl]-2-(chloroamino)propanoic acid IUPAC Name: 3-[3-(2-aminoacetyl)-4-hexadecylphenyl]-2-(chloroamino)propanoic acid Traditional Name: 3-(4-cetyl-3-glycyl-phenyl)-2-(chloroamino)propionic acid Formula: C27H45ClN2O3 MolecularWeight: 481.1108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1)CC(C(=O)O)NCl)C(=O)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1)CC(C(=O)O)NCl)C(=O)CN

InChI

InChI=1S/C27H45ClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-17-22(19-24(23)26(31)21-29)20-25(30-28)27(32)33/h17-19,25,30H,2-16,20-21,29H2,1H3,(H,32,33)