[2-azanyl-3-(phenylmethylsulfanyl)propanoyl] hexadecanoate

Systemtic Name: [2-azanyl-3-(phenylmethylsulfanyl)propanoyl] hexadecanoate Openeye Name: (2-amino-3-benzylsulfanyl-propanoyl) hexadecanoate CAS Name: hexadecanoic acid [2-amino-1-oxo-3-(phenylmethylthio)propyl] ester IUPAC Name: (2-amino-3-benzylsulfanylpropanoyl) hexadecanoate Traditional Name: palmitic acid [2-amino-3-(benzylthio)propanoyl] ester Formula: C26H43NO3S MolecularWeight: 449.68952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(=O)C(CSCC1=CC=CC=C1)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(=O)C(CSCC1=CC=CC=C1)N

InChI

InChI=1S/C26H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)30-26(29)24(27)22-31-21-23-18-15-14-16-19-23/h14-16,18-19,24H,2-13,17,20-22,27H2,1H3