5-[[4-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]carbonylamino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(bromanyl)-N1,N3-bis[2,3,4,5,6-pentakis(oxidanyl)hexyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[4-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]carbonylamino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(bromanyl)-N1,N3-bis[2,3,4,5,6-pentakis(oxidanyl)hexyl]benzene-1,3-dicarboxamide Openeye Name: 5-[[4-[(4-aminobenzoyl)-methyl-amino]benzoyl]amino]-2,4,6-tribromo-N1,N3-bis(2,3-dihydroxypropyl)-N1,N3-bis(2,3,4,5,6-pentahydroxyhexyl)benzene-1,3-dicarboxamide CAS Name: 5-[[[4-[[(4-aminophenyl)-oxomethyl]-methylamino]phenyl]-oxomethyl]amino]-2,4,6-tribromo-N1,N3-bis(2,3-dihydroxypropyl)-N1,N3-bis(2,3,4,5,6-pentahydroxyhexyl)benzene-1,3-dicarboxamide IUPAC Name: 5-[[4-[(4-aminobenzoyl)-methylamino]benzoyl]amino]-2,4,6-tribromo-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N-bis(2,3,4,5,6-pentahydroxyhexyl)benzene-1,3-dicarboxamide Traditional Name: 5-[[4-[(4-aminobenzoyl)-methyl-amino]benzoyl]amino]-2,4,6-tribromo-N,N'-diglyceryl-N,N'-bis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide Formula: C41H54Br3N5O18 MolecularWeight: 1144.60216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2Br)C(=O)N(CC(CO)O)CC(C(C(C(CO)O)O)O)O)Br)C(=O)N(CC(CO)O)CC(C(C(C(CO)O)O)O)O)Br)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2Br)C(=O)N(CC(CO)O)CC(C(C(C(CO)O)O)O)O)Br)C(=O)N(CC(CO)O)CC(C(C(C(CO)O)O)O)O)Br)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C41H54Br3N5O18/c1-47(39(65)19-2-6-20(45)7-3-19)21-8-4-18(5-9-21)38(64)46-33-31(43)28(40(66)48(10-22(54)14-50)12-24(56)34(60)36(62)26(58)16-52)30(42)29(32(33)44)41(67)49(11-23(55)15-51)13-25(57)35(61)37(63)27(59)17-53/h2-9,22-27,34-37,50-63H,10-17,45H2,1H3,(H,46,64)