3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4,5-bis(methylsulfonyloxy)cyclohexene-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4,5-bis(methylsulfonyloxy)cyclohexene-1-carboxylic acid Openeye Name: 3-[benzyl(tert-butoxycarbonyl)amino]-4,5-bis(methylsulfonyloxy)cyclohexene-1-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-4,5-bis(methylsulfonyloxy)-1-cyclohexenecarboxylic acid IUPAC Name: 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-bis(methylsulfonyloxy)cyclohexene-1-carboxylic acid Traditional Name: 3-[benzyl(tert-butoxycarbonyl)amino]-4,5-bis(methylsulfonyloxy)cyclohexene-1-carboxylic acid Formula: C21H29NO10S2 MolecularWeight: 519.58566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2C=C(CC(C2OS(=O)(=O)C)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2C=C(CC(C2OS(=O)(=O)C)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H29NO10S2/c1-21(2,3)30-20(25)22(13-14-9-7-6-8-10-14)16-11-15(19(23)24)12-17(31-33(4,26)27)18(16)32-34(5,28)29/h6-11,16-18H,12-13H2,1-5H3,(H,23,24)