methyl (2R)-2-(octanoylamino)-3-octanoylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-(octanoylamino)-3-octanoylsulfanyl-propanoate Openeye Name: methyl (2R)-2-(octanoylamino)-3-octanoylsulfanyl-propanoate CAS Name: (2R)-2-(1-oxooctylamino)-3-(1-oxooctylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(octanoylamino)-3-octanoylsulfanylpropanoate Traditional Name: (2R)-2-(caprylylamino)-3-(caprylylthio)propionic acid methyl ester Formula: C20H37NO4S MolecularWeight: 387.57708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSC(=O)CCCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](CSC(=O)CCCCCCC)C(=O)OC

InChI

InChI=1S/C20H37NO4S/c1-4-6-8-10-12-14-18(22)21-17(20(24)25-3)16-26-19(23)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,21,22)/t17-/m0/s1