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

Systemtic Name: heptyl (2S)-2-(2-methylpropoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: heptyl (2S)-2-(isobutoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-4-(methylthio)butanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-(2-methylpropoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-4-(methylthio)butyric acid heptyl ester Formula: C17H33NO4S MolecularWeight: 347.51322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33NO4S/c1-5-6-7-8-9-11-21-16(19)15(10-12-23-4)18-17(20)22-13-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,20)/t15-/m0/s1