ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoate

Systemtic Name: ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoate Openeye Name: ethyl (2S)-6-benzylsulfanyl-2-(tert-butoxycarbonylamino)-6-oxo-hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-(phenylmethylthio)hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-6-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: (2S)-6-(benzylthio)-2-(tert-butoxycarbonylamino)-6-keto-hexanoic acid ethyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)SCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CCCC(=O)SCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29NO5S/c1-5-25-18(23)16(21-19(24)26-20(2,3)4)12-9-13-17(22)27-14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12-14H2,1-4H3,(H,21,24)/t16-/m0/s1