5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide

C154H188I27N27O63 — CID 158549961

IUPAC5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
SMILESCN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCC(C)(CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I
InChIInChI=1S/C55H70I9N9O24.C52H64I9N9O21.C47H54I9N9O18/c1-71(10-20(80)13-74)53(95)29-32(56)26(35(59)41(38(29)62)68-50(92)44(86)23(83)16-77)47(89)65-7-4-19(5-8-66-48(90)27-33(57)30(54(96)72(2)11-21(81)14-75)39(63)42(36(27)60)69-51(93)45(87)24(84)17-78)6-9-67-49(91)28-34(58)31(55(97)73(3)12-22(82)15-76)40(64)43(37(28)61)70-52(94)46(88)25(85)18-79;1-68(10-20(77)13-71)50(89)29-32(53)26(35(56)41(38(29)59)65-44(83)23(80)16-74)47(86)62-7-4-19(5-8-63-48(87)27-33(54)30(51(90)69(2)11-21(78)14-72)39(60)42(36(27)57)66-45(84)24(81)17-75)6-9-64-49(88)28-34(55)31(52(91)70(3)12-22(79)15-73)40(61)43(37(28)58)67-46(85)25(82)18-76;1-47(14-57-41(78)23-29(48)26(44(81)63(2)5-17(72)8-66)35(54)38(32(23)51)60-20(75)11-69,15-58-42(79)24-30(49)27(45(82)64(3)6-18(73)9-67)36(55)39(33(24)52)61-21(76)12-70)16-59-43(80)25-31(50)28(46(83)65(4)7-19(74)10-68)37(56)40(34(25)53)62-22(77)13-71/h19-25,44-46,74-88H,4-18H2,1-3H3,(H,65,89)(H,66,90)(H,67,91)(H,68,92)(H,69,93)(H,70,94);19-25,71-82H,4-18H2,1-3H3,(H,62,86)(H,63,87)(H,64,88)(H,65,83)(H,66,84)(H,67,85);17-19,66-74H,5-16H2,1-4H3,(H,57,78)(H,58,79)(H,59,80)(H,60,75)(H,61,76)(H,62,77)
InChIKeyHPPCBKZLWIXRLT-UHFFFAOYSA-N
MW6851.73 g/mol
LogP-1.82
Rot. Bonds96

About 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide

5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide (PubChem CID 158549961) has the molecular formula C154H188I27N27O63 and a molecular weight of 6851.73 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
PubChem CID158549961
Molecular FormulaC154H188I27N27O63
Molecular Weight6851.73 g/mol
Exact Mass6849.65
IUPAC Name5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
SMILESCN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCC(C)(CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I
InChIInChI=1S/C55H70I9N9O24.C52H64I9N9O21.C47H54I9N9O18/c1-71(10-20(80)13-74)53(95)29-32(56)26(35(59)41(38(29)62)68-50(92)44(86)23(83)16-77)47(89)65-7-4-19(5-8-66-48(90)27-33(57)30(54(96)72(2)11-21(81)14-75)39(63)42(36(27)60)69-51(93)45(87)24(84)17-78)6-9-67-49(91)28-34(58)31(55(97)73(3)12-22(82)15-76)40(64)43(37(28)61)70-52(94)46(88)25(85)18-79;1-68(10-20(77)13-71)50(89)29-32(53)26(35(56)41(38(29)59)65-44(83)23(80)16-74)47(86)62-7-4-19(5-8-63-48(87)27-33(54)30(51(90)69(2)11-21(78)14-72)39(60)42(36(27)57)66-45(84)24(81)17-75)6-9-64-49(88)28-34(55)31(52(91)70(3)12-22(79)15-73)40(61)43(37(28)58)67-46(85)25(82)18-76;1-47(14-57-41(78)23-29(48)26(44(81)63(2)5-17(72)8-66)35(54)38(32(23)51)60-20(75)11-69,15-58-42(79)24-30(49)27(45(82)64(3)6-18(73)9-67)36(55)39(33(24)52)61-21(76)12-70)16-59-43(80)25-31(50)28(46(83)65(4)7-19(74)10-68)37(56)40(34(25)53)62-22(77)13-71/h19-25,44-46,74-88H,4-18H2,1-3H3,(H,65,89)(H,66,90)(H,67,91)(H,68,92)(H,69,93)(H,70,94);19-25,71-82H,4-18H2,1-3H3,(H,62,86)(H,63,87)(H,64,88)(H,65,83)(H,66,84)(H,67,85);17-19,66-74H,5-16H2,1-4H3,(H,57,78)(H,58,79)(H,59,80)(H,60,75)(H,61,76)(H,62,77)
InChIKeyHPPCBKZLWIXRLT-UHFFFAOYSA-N
XLogP-1.82
TPSA1434.87 Ų
H-Bond Donors54
H-Bond Acceptors63
Rotatable Bonds96
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006851.73
LogP ≤ 5-1.82
H-Bond Donors ≤ 554
H-Bond Acceptors ≤ 1063

Analyze 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

5-(2,3-dihydroxypropanoylamino)-1-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-(2,3-dihydroxypropanoylamino)-1-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-2-hydroxypropyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-2-hydroxypropyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 157147498
3-N-(2,3-dihydroxypropyl)-1-N-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-2-hydroxypropyl]amino]ethyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 59413983
3-N-(2,3-dihydroxypropyl)-1-N-[2-[[3-(2,3-dihydroxypropylcarbamoyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[2-[[3-(2,3-dihydroxypropylcarbamoyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]ethyl]amino]ethyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]ethyl]amino]ethyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
CID 161237278
1-N-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]-3-N-[(2,3-dihydroxypropanoylamino)methyl]-5-[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 87693329
3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-methylamino]-2-hydroxypropyl]amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 59413937
1-N-(2,3-dihydroxypropyl)-3-N-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]-methylamino]-2-hydroxypropyl]amino]propyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 59414003
N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-5-(1-hydroxyethyl)-2,4,6-triiodo-N-methylbenzamide
CID 18429299
1-N-(2,3-dihydroxypropyl)-3-N-[2-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]-[2-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]-methylamino]ethyl]amino]ethyl]-2,4-diiodo-3-N,6-dimethyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 89209808
1-N-[(2R)-2,3-dihydroxypropyl]-3-N-[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
CID 73416620
3-N-[2,3-dihydroxy-4-[[3-[(2-hydroxyacetyl)amino]-5-[hydroxy(3-hydroxypropyl)carbamoyl]-2,4,6-triiodobenzoyl]-methylamino]butyl]-1-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
CID 87474621
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide;1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 134585009
5-(2,3-dihydroxypropanoylamino)-3-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]-[2-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]-methylamino]ethyl]amino]propyl]-1-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
CID 59413949

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide (CID 158549961) is 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide is CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCC(C)(CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)CNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.
What is the InChIKey of 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide?
The InChIKey is HPPCBKZLWIXRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H70I9N9O24.C52H64I9N9O21.C47H54I9N9O18/c1-71(10-20(80)13-74)53(95)29-32(56)26(35(59)41(38(29)62)68-50(92)44(86)23(83)16-77)47(89)65-7-4-19(5-8-66-48(90)27-33(57)30(54(96)72(2)11-21(81)14-75)39(63)42(36(27)60)69-51(93)45(87)24(84)17-78)6-9-67-49(91)28-34(58)31(55(97)73(3)12-22(82)15-76)40(64)43(37(28)61)70-52(94)46(88)25(85)18-79;1-68(10-20(77)13-71)50(89)29-32(53)26(35(56)41(38(29)59)65-44(83)23(80)16-74)47(86)62-7-4-19(5-8-63-48(87)27-33(54)30(51(90)69(2)11-21(78)14-72)39(60)42(36(27)57)66-45(84)24(81)17-75)6-9-64-49(88)28-34(55)31(52(91)70(3)12-22(79)15-73)40(61)43(37(28)58)67-46(85)25(82)18-76;1-47(14-57-41(78)23-29(48)26(44(81)63(2)5-17(72)8-66)35(54)38(32(23)51)60-20(75)11-69,15-58-42(79)24-30(49)27(45(82)64(3)6-18(73)9-67)36(55)39(33(24)52)61-21(76)12-70)16-59-43(80)25-31(50)28(46(83)65(4)7-19(74)10-68)37(56)40(34(25)53)62-22(77)13-71/h19-25,44-46,74-88H,4-18H2,1-3H3,(H,65,89)(H,66,90)(H,67,91)(H,68,92)(H,69,93)(H,70,94);19-25,71-82H,4-18H2,1-3H3,(H,62,86)(H,63,87)(H,64,88)(H,65,83)(H,66,84)(H,67,85);17-19,66-74H,5-16H2,1-4H3,(H,57,78)(H,58,79)(H,59,80)(H,60,75)(H,61,76)(H,62,77).
What are the key properties of 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide?
5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide has a molecular weight of 6851.73 g/mol, XLogP of -1.82, 96 rotatable bonds, 54 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 158549961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).