hexyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: hexyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: hexyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(methoxycarbonylamino)-4-(methylthio)butanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(carbomethoxyamino)-4-(methylthio)butyric acid hexyl ester Formula: C13H25NO4S MolecularWeight: 291.4069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC(=O)[C@H](CCSC)NC(=O)OC

InChI

InChI=1S/C13H25NO4S/c1-4-5-6-7-9-18-12(15)11(8-10-19-3)14-13(16)17-2/h11H,4-10H2,1-3H3,(H,14,16)/t11-/m0/s1