methyl (2S)-2-(decanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(decanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(decanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(1-oxodecylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(decanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(caprylamino)-4-(methylthio)butyric acid methyl ester Formula: C16H31NO3S MolecularWeight: 317.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H31NO3S/c1-4-5-6-7-8-9-10-11-15(18)17-14(12-13-21-3)16(19)20-2/h14H,4-13H2,1-3H3,(H,17,18)/t14-/m0/s1