ethyl (2S,3R)-3-methyl-2-(4-methylphenyl)sulfonyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-pentanoate

Systemtic Name: ethyl (2S,3R)-3-methyl-2-(4-methylphenyl)sulfonyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-pentanoate Openeye Name: ethyl (2S,3R)-5-(tert-butoxycarbonylamino)-3-hydroxy-3-methyl-2-(p-tolylsulfonyloxy)pentanoate CAS Name: (2S,3R)-3-hydroxy-3-methyl-2-(4-methylphenyl)sulfonyloxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-hydroxy-3-methyl-2-(4-methylphenyl)sulfonyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S,3R)-5-(tert-butoxycarbonylamino)-3-hydroxy-3-methyl-2-tosyloxy-valeric acid ethyl ester Formula: C20H31NO8S MolecularWeight: 445.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)(CCNC(=O)OC(C)(C)C)O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)[C@H]([C@@](C)(CCNC(=O)OC(C)(C)C)O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H31NO8S/c1-7-27-17(22)16(29-30(25,26)15-10-8-14(2)9-11-15)20(6,24)12-13-21-18(23)28-19(3,4)5/h8-11,16,24H,7,12-13H2,1-6H3,(H,21,23)/t16-,20-/m1/s1