(2S)-6-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: (2S)-6-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-6-(p-tolylmethylsulfanyl)hexanoic acid CAS Name: (2S)-6-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-[(4-methylbenzyl)thio]hexanoic acid Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCCCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4S/c1-14-8-10-15(11-9-14)13-25-12-6-5-7-16(17(21)22)20-18(23)24-19(2,3)4/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,22)/t16-/m0/s1