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2-azanyl-2-(2-methylsulfanylethyl)-3-oxidanylidene-octadecanoic acid

2-azanyl-2-(2-methylsulfanylethyl)-3-oxidanylidene-octadecanoic acid

Systemtic Name:2-azanyl-2-(2-methylsulfanylethyl)-3-oxidanylidene-octadecanoic acid
Openeye Name:2-amino-2-(2-methylsulfanylethyl)-3-oxo-octadecanoic acid
CAS Name:2-amino-2-[2-(methylthio)ethyl]-3-oxooctadecanoic acid
IUPAC Name:2-amino-2-(2-methylsulfanylethyl)-3-oxooctadecanoic acid
Traditional Name:2-amino-3-keto-2-[2-(methylthio)ethyl]stearic acid
Formula: C21H41NO3S
MolecularWeight: 387.62014
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCSC)(C(=O)O)N


Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCSC)(C(=O)O)N


InChI

InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)21(22,20(24)25)17-18-26-2/h3-18,22H2,1-2H3,(H,24,25)


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