S-tert-butyl (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxy-2-(phenylmethyl)butanethioate

Systemtic Name: S-tert-butyl (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxy-2-(phenylmethyl)butanethioate Openeye Name: S-tert-butyl (2S,3S)-2-benzyl-3-(tert-butoxycarbonylamino)-4-methylsulfonyloxy-butanethioate CAS Name: (2S,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-methylsulfonyloxy-2-(phenylmethyl)butanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2S,3S)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxybutanethioate Traditional Name: (2S,3S)-2-benzyl-3-(tert-butoxycarbonylamino)-4-methylsulfonyloxy-butanethioic acid S-tert-butyl ester Formula: C21H33NO6S2 MolecularWeight: 459.61982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C(CC1=CC=CC=C1)C(=O)SC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](COS(=O)(=O)C)[C@H](CC1=CC=CC=C1)C(=O)SC(C)(C)C

InChI

InChI=1S/C21H33NO6S2/c1-20(2,3)28-19(24)22-17(14-27-30(7,25)26)16(18(23)29-21(4,5)6)13-15-11-9-8-10-12-15/h8-12,16-17H,13-14H2,1-7H3,(H,22,24)/t16-,17+/m0/s1