tert-butyl (2S)-4-methyl-2-[2-[2-(phenylmethylsulfanyl)ethylsulfonyl]ethoxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[2-[2-(phenylmethylsulfanyl)ethylsulfonyl]ethoxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-[2-(2-benzylsulfanylethylsulfonyl)ethoxycarbonylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[2-[2-(phenylmethylthio)ethylsulfonyl]ethoxy]methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-(2-benzylsulfanylethylsulfonyl)ethoxycarbonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[2-[2-(benzylthio)ethylsulfonyl]ethoxycarbonylamino]-4-methyl-valeric acid tert-butyl ester Formula: C22H35NO6S2 MolecularWeight: 473.6464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)OCCS(=O)(=O)CCSCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCCS(=O)(=O)CCSCC1=CC=CC=C1

InChI

InChI=1S/C22H35NO6S2/c1-17(2)15-19(20(24)29-22(3,4)5)23-21(25)28-11-13-31(26,27)14-12-30-16-18-9-7-6-8-10-18/h6-10,17,19H,11-16H2,1-5H3,(H,23,25)/t19-/m0/s1