(2S)-4-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (2S)-4-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-4-(p-tolylmethylsulfanyl)butanoate CAS Name: (2S)-4-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-[(4-methylbenzyl)thio]butyrate Formula: C17H24NO4S- MolecularWeight: 338.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25NO4S/c1-12-5-7-13(8-6-12)11-23-10-9-14(15(19)20)18-16(21)22-17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,20)/p-1/t14-/m0/s1