3-[3-(2-azanylethanoyl)-5-hexadecyl-4-oxidanyl-phenyl]-2-(chloranylamino)propanoic acid

Systemtic Name: 3-[3-(2-azanylethanoyl)-5-hexadecyl-4-oxidanyl-phenyl]-2-(chloranylamino)propanoic acid Openeye Name: 3-[3-(2-aminoacetyl)-5-hexadecyl-4-hydroxy-phenyl]-2-(chloroamino)propanoic acid CAS Name: 3-[3-(2-amino-1-oxoethyl)-5-hexadecyl-4-hydroxyphenyl]-2-(chloroamino)propanoic acid IUPAC Name: 3-[3-(2-aminoacetyl)-5-hexadecyl-4-hydroxyphenyl]-2-(chloroamino)propanoic acid Traditional Name: 3-(3-cetyl-5-glycyl-4-hydroxy-phenyl)-2-(chloroamino)propionic acid Formula: C27H45ClN2O4 MolecularWeight: 497.1102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-21(19-24(30-28)27(33)34)18-23(26(22)32)25(31)20-29/h17-18,24,30,32H,2-16,19-20,29H2,1H3,(H,33,34)