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

Systemtic Name: heptyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Openeye Name: heptyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(propoxy)methyl]amino]butanoic acid heptyl ester IUPAC Name: heptyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(propoxycarbonylamino)butyric acid heptyl ester Formula: C16H31NO4S MolecularWeight: 333.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO4S/c1-4-6-7-8-9-12-20-15(18)14(10-13-22-3)17-16(19)21-11-5-2/h14H,4-13H2,1-3H3,(H,17,19)/t14-/m0/s1