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Substance Name: Bis(alpha-bromoacetyl-epsilon-2,4-dinitrophenyllysylproline)ethylenediamine
RN: 61556-53-4
InChIKey: QRTKDHVYTQIMDR-YDPTYEFTSA-N

Molecular Weight

  • 1084.73
 
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Names and Synonyms

Name of Substance

  • Bis(alpha-bromoacetyl-epsilon-2,4-dinitrophenyllysylproline)ethylenediamine

Synonym

  • Dibadl

Systematic Name

  • 1,2-Ethanediamine, N,N'-bis(1-(N(2)-(bromoacetyl)-N(6)-(2,4-dinitrophenyl)-L-lysyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 61556-53-4

System Generated Number

  • 0061556534

Structure Descriptors

InChI

1S/C40H52Br2N12O14/c41-23-35(55)47-29(7-1-3-15-43-27-13-11-25(51(61)62)21-33(27)53(65)66)39(59)49-19-5-9-31(49)37(57)45-17-18-46-38(58)32-10-6-20-50(32)40(60)30(48-36(56)24-42)8-2-4-16-44-28-14-12-26(52(63)64)22-34(28)54(67)68/h11-14,21-22,29-32,43-44H,1-10,15-20,23-24H2,(H,45,57)(H,46,58)(H,47,55)(H,48,56)/t29-,30-,31-,32-/m0/s1

InChIKey

QRTKDHVYTQIMDR-YDPTYEFTSA-N

Smiles

C(CNC([C@H]1N(CCC1)C([C@@H](NC(=O)CBr)CCCCNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])=O)=O)NC([C@H]1N(CCC1)C([C@@H](NC(=O)CBr)CCCCNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])=O)=O