methyl (2R)-2-(hexanoylamino)-3-hexanoylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-(hexanoylamino)-3-hexanoylsulfanyl-propanoate Openeye Name: methyl (2R)-2-(hexanoylamino)-3-hexanoylsulfanyl-propanoate CAS Name: (2R)-2-(1-oxohexylamino)-3-(1-oxohexylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(hexanoylamino)-3-hexanoylsulfanylpropanoate Traditional Name: (2R)-2-(caproylamino)-3-(caproylthio)propionic acid methyl ester Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CSC(=O)CCCCC)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N[C@@H](CSC(=O)CCCCC)C(=O)OC

InChI

InChI=1S/C16H29NO4S/c1-4-6-8-10-14(18)17-13(16(20)21-3)12-22-15(19)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,17,18)/t13-/m0/s1