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

C132H160I24N24O64 — CID 157147498

IUPAC5-(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
SMILESCN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=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)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I
InChIInChI=1S/C35H44I6N6O17.C33H40I6N6O17.C33H40I6N6O15.C31H36I6N6O15/c1-46(5-12(53)7-48)34(63)18-20(36)16(22(38)26(24(18)40)44-32(61)28(57)14(55)9-50)30(59)42-3-11(52)4-43-31(60)17-21(37)19(35(64)47(2)6-13(54)8-49)25(41)27(23(17)39)45-33(62)29(58)15(56)10-51;34-18-14(20(36)24(44-32(61)26(55)12(53)7-48)22(38)16(18)30(59)42-3-10(51)5-46)28(57)40-1-9(50)2-41-29(58)15-19(35)17(31(60)43-4-11(52)6-47)23(39)25(21(15)37)45-33(62)27(56)13(54)8-49;1-44(5-12(51)7-46)32(59)18-20(34)16(22(36)26(24(18)38)42-28(55)14(53)9-48)30(57)40-3-11(50)4-41-31(58)17-21(35)19(33(60)45(2)6-13(52)8-47)25(39)27(23(17)37)43-29(56)15(54)10-49;32-18-14(20(34)24(42-26(53)12(51)7-46)22(36)16(18)30(57)40-3-10(49)5-44)28(55)38-1-9(48)2-39-29(56)15-19(33)17(31(58)41-4-11(50)6-45)23(37)25(21(15)35)43-27(54)13(52)8-47/h11-15,28-29,48-58H,3-10H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62);9-13,26-27,46-56H,1-8H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)(H,44,61)(H,45,62);11-15,46-54H,3-10H2,1-2H3,(H,40,57)(H,41,58)(H,42,55)(H,43,56);9-13,44-52H,1-8H2,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,42,53)(H,43,54)
InChIKeyAKWIDOSGPSKAKG-UHFFFAOYSA-N
MW6152.53 g/mol
LogP-10.85
Rot. Bonds84

About 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

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 (PubChem CID 157147498) has the molecular formula C132H160I24N24O64 and a molecular weight of 6152.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157147498
Molecular FormulaC132H160I24N24O64
Molecular Weight6152.53 g/mol
Exact Mass6150.71
IUPAC Name5-(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
SMILESCN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=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)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I
InChIInChI=1S/C35H44I6N6O17.C33H40I6N6O17.C33H40I6N6O15.C31H36I6N6O15/c1-46(5-12(53)7-48)34(63)18-20(36)16(22(38)26(24(18)40)44-32(61)28(57)14(55)9-50)30(59)42-3-11(52)4-43-31(60)17-21(37)19(35(64)47(2)6-13(54)8-49)25(41)27(23(17)39)45-33(62)29(58)15(56)10-51;34-18-14(20(36)24(44-32(61)26(55)12(53)7-48)22(38)16(18)30(59)42-3-10(51)5-46)28(57)40-1-9(50)2-41-29(58)15-19(35)17(31(60)43-4-11(52)6-47)23(39)25(21(15)37)45-33(62)27(56)13(54)8-49;1-44(5-12(51)7-46)32(59)18-20(34)16(22(36)26(24(18)38)42-28(55)14(53)9-48)30(57)40-3-11(50)4-41-31(58)17-21(35)19(33(60)45(2)6-13(52)8-47)25(39)27(23(17)37)43-29(56)15(54)10-49;32-18-14(20(34)24(42-26(53)12(51)7-46)22(36)16(18)30(57)40-3-10(49)5-44)28(55)38-1-9(48)2-39-29(56)15-19(33)17(31(58)41-4-11(50)6-45)23(37)25(21(15)35)43-27(54)13(52)8-47/h11-15,28-29,48-58H,3-10H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62);9-13,26-27,46-56H,1-8H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)(H,44,61)(H,45,62);11-15,46-54H,3-10H2,1-2H3,(H,40,57)(H,41,58)(H,42,55)(H,43,56);9-13,44-52H,1-8H2,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,42,53)(H,43,54)
InChIKeyAKWIDOSGPSKAKG-UHFFFAOYSA-N
XLogP-10.85
TPSA1472.44 Ų
H-Bond Donors60
H-Bond Acceptors64
Rotatable Bonds84
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006152.53
LogP ≤ 5-10.85
H-Bond Donors ≤ 560
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=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)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I.O=C(NCC(O)CO)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c2I)c1I.
What is the InChIKey of 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?
The InChIKey is AKWIDOSGPSKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44I6N6O17.C33H40I6N6O17.C33H40I6N6O15.C31H36I6N6O15/c1-46(5-12(53)7-48)34(63)18-20(36)16(22(38)26(24(18)40)44-32(61)28(57)14(55)9-50)30(59)42-3-11(52)4-43-31(60)17-21(37)19(35(64)47(2)6-13(54)8-49)25(41)27(23(17)39)45-33(62)29(58)15(56)10-51;34-18-14(20(36)24(44-32(61)26(55)12(53)7-48)22(38)16(18)30(59)42-3-10(51)5-46)28(57)40-1-9(50)2-41-29(58)15-19(35)17(31(60)43-4-11(52)6-47)23(39)25(21(15)37)45-33(62)27(56)13(54)8-49;1-44(5-12(51)7-46)32(59)18-20(34)16(22(36)26(24(18)38)42-28(55)14(53)9-48)30(57)40-3-11(50)4-41-31(58)17-21(35)19(33(60)45(2)6-13(52)8-47)25(39)27(23(17)37)43-29(56)15(54)10-49;32-18-14(20(34)24(42-26(53)12(51)7-46)22(36)16(18)30(57)40-3-10(49)5-44)28(55)38-1-9(48)2-39-29(56)15-19(33)17(31(58)41-4-11(50)6-45)23(37)25(21(15)35)43-27(54)13(52)8-47/h11-15,28-29,48-58H,3-10H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62);9-13,26-27,46-56H,1-8H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)(H,44,61)(H,45,62);11-15,46-54H,3-10H2,1-2H3,(H,40,57)(H,41,58)(H,42,55)(H,43,56);9-13,44-52H,1-8H2,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,42,53)(H,43,54).
What are the key properties of 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?
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 has a molecular weight of 6152.53 g/mol, XLogP of -10.85, 84 rotatable bonds, 60 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157147498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).