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

Systemtic Name: hexyl (2S)-2-(2-methylpropoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: hexyl (2S)-2-(isobutoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-4-(methylthio)butanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-(2-methylpropoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-4-(methylthio)butyric acid hexyl ester Formula: C16H31NO4S MolecularWeight: 333.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO4S/c1-5-6-7-8-10-20-15(18)14(9-11-22-4)17-16(19)21-12-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19)/t14-/m0/s1