2-[2-[[2-[(5-chloranyl-2,4-disulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]amino]ethanoic acid

Systemtic Name: 2-[2-[[2-[(5-chloranyl-2,4-disulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]amino]ethanoic acid Openeye Name: 2-[2-tert-butoxycarbonyloxy-N-[2-(2-tert-butoxycarbonyloxy-N-[2-(5-chloro-2,4-disulfamoyl-anilino)-2-oxo-ethyl]anilino)ethyl]anilino]acetic acid CAS Name: 2-[N-[2-[N-[2-(5-chloro-2,4-disulfamoylanilino)-2-oxoethyl]-2-[(2-methylpropan-2-yl)oxy-oxomethoxy]anilino]ethyl]-2-[(2-methylpropan-2-yl)oxy-oxomethoxy]anilino]acetic acid IUPAC Name: 2-[N-[2-[N-[2-(5-chloro-2,4-disulfamoylanilino)-2-oxoethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]anilino]ethyl]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]anilino]acetic acid Traditional Name: 2-[2-tert-butoxycarbonyloxy-N-[2-(2-tert-butoxycarbonyloxy-N-[2-(5-chloro-2,4-disulfamoyl-anilino)-2-keto-ethyl]anilino)ethyl]anilino]acetic acid Formula: C34H42ClN5O13S2 MolecularWeight: 828.30598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=CC=CC=C1N(CCN(CC(=O)O)C2=CC=CC=C2OC(=O)OC(C)(C)C)CC(=O)NC3=CC(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)OC1=CC=CC=C1N(CCN(CC(=O)O)C2=CC=CC=C2OC(=O)OC(C)(C)C)CC(=O)NC3=CC(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C34H42ClN5O13S2/c1-33(2,3)52-31(44)50-25-13-9-7-11-23(25)39(19-29(41)38-22-17-21(35)27(54(36,46)47)18-28(22)55(37,48)49)15-16-40(20-30(42)43)24-12-8-10-14-26(24)51-32(45)53-34(4,5)6/h7-14,17-18H,15-16,19-20H2,1-6H3,(H,38,41)(H,42,43)(H2,36,46,47)(H2,37,48,49)