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

Systemtic Name: [2-azanyl-3-(phenylmethylsulfanyl)propanoyl] icosanoate Openeye Name: (2-amino-3-benzylsulfanyl-propanoyl) icosanoate CAS Name: eicosanoic acid [2-amino-1-oxo-3-(phenylmethylthio)propyl] ester IUPAC Name: (2-amino-3-benzylsulfanylpropanoyl) icosanoate Traditional Name: arachidic acid [2-amino-3-(benzylthio)propanoyl] ester Formula: C30H51NO3S MolecularWeight: 505.79584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29(32)34-30(33)28(31)26-35-25-27-22-19-18-20-23-27/h18-20,22-23,28H,2-17,21,24-26,31H2,1H3