2-azanyl-2-[4-[[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-[4-[[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbonyl-pentanedioic acid Openeye Name: 2-amino-2-[4-[[tert-butoxycarbonyl(vinylsulfonyl)amino]methyl]benzoyl]pentanedioic acid CAS Name: 2-amino-2-[[4-[[ethenylsulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-[4-[[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoyl]pentanedioic acid Traditional Name: 2-amino-2-[4-[[tert-butoxycarbonyl(vinylsulfonyl)amino]methyl]benzoyl]glutaric acid Formula: C20H26N2O9S MolecularWeight: 470.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)C(CCC(=O)O)(C(=O)O)N)S(=O)(=O)C=C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)C(CCC(=O)O)(C(=O)O)N)S(=O)(=O)C=C

InChI

InChI=1S/C20H26N2O9S/c1-5-32(29,30)22(18(28)31-19(2,3)4)12-13-6-8-14(9-7-13)16(25)20(21,17(26)27)11-10-15(23)24/h5-9H,1,10-12,21H2,2-4H3,(H,23,24)(H,26,27)