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Substance Name: Penta-N-methylpyrrolecarboxamide-edta-Fe(II)
RN: 88411-60-3
InChIKey: KVFPDYMLWVCYKL-UHFFFAOYSA-L

Note

  • Sequence-specific DNA-cleaving molecule.

Molecular Weight

  • 1125.97
 
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Names and Synonyms

Name of Substance

  • Penta-N-methylpyrrolecarboxamide-edta-Fe(II)

Synonym

  • P5E-Fe

Systematic Name

  • Ferrate(1-), (N-(2-(bis(carboxymethyl)amino)ethyl)-N-(2-((4-((5-(((5-(((5-(((5-(((5-(((3-(dimethylamino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-4-oxobutyl)amino)-2-oxoethyl)glycinato(3-))-, hydrogen

Registry Numbers

CAS Registry Number

  • 88411-60-3

System Generated Number

  • 0088411603

Structure Descriptors

InChI

1S/C49H65N15O13.Fe/c1-57(2)14-9-13-51-49(77)44-34(11-15-58(44)3)56-48(76)38-21-33(25-62(38)7)55-47(75)37-20-32(24-61(37)6)54-46(74)36-19-31(23-60(36)5)53-45(73)35-18-30(22-59(35)4)52-39(65)10-8-12-50-40(66)26-63(27-41(67)68)16-17-64(28-42(69)70)29-43(71)72;/h11,15,18-25H,8-10,12-14,16-17,26-29H2,1-7H3,(H,50,66)(H,51,77)(H,52,65)(H,53,73)(H,54,74)(H,55,75)(H,56,76)(H,67,68)(H,69,70)(H,71,72);/q;+2/p-2

InChIKey

KVFPDYMLWVCYKL-UHFFFAOYSA-L

Smiles

[Fe+2].n1(ccc(NC(=O)c2n(cc(NC(c3n(C)cc(NC(c4n(cc(NC(c5n(cc(NC(CCCNC(C[N@@](CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O)=O)=O)c5)C)=O)c4)C)=O)c3)=O)c2)C)c1C(=O)NCCCN(C)C)C