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

Systemtic Name: heptyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: heptyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-4-(methylthio)butanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(carbethoxyamino)-4-(methylthio)butyric acid heptyl ester Formula: C15H29NO4S MolecularWeight: 319.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO4S/c1-4-6-7-8-9-11-20-14(17)13(10-12-21-3)16-15(18)19-5-2/h13H,4-12H2,1-3H3,(H,16,18)/t13-/m0/s1