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Substance Name: 3-Maleimidobenzoyl (digoxigenin-3-O-succinamido)aniline
RN: 75804-34-1
InChIKey: BBAVWFMMMXEWSK-SSBQFZNXSA-N

Molecular Weight

  • 779.882
 
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Names and Synonyms

Name of Substance

  • 3-Maleimidobenzoyl (digoxigenin-3-O-succinamido)aniline

Synonyms

  • m-Maleimidobenzoyl digoxigenin-3-O-succinate
  • MIBDS

Systematic Name

  • Card-20(22)-enolide, 3-(4-((4-((3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoyl)amino)phenyl)amino)-1,4-dioxobutoxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 75804-34-1

System Generated Number

  • 0075804341

Structure Descriptors

InChI

1S/C44H49N3O10/c1-42-18-16-31(22-27(42)6-11-33-34(42)23-35(48)43(2)32(17-19-44(33,43)55)26-21-40(53)56-24-26)57-39(52)15-12-36(49)45-28-7-9-29(10-8-28)46-41(54)25-4-3-5-30(20-25)47-37(50)13-14-38(47)51/h3-5,7-10,13-14,20-21,27,31-35,48,55H,6,11-12,15-19,22-24H2,1-2H3,(H,45,49)(H,46,54)/t27-,31+,32-,33-,34+,35-,42+,43+,44?/m1/s1

InChIKey

BBAVWFMMMXEWSK-SSBQFZNXSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)O)O)OC(CCC(=O)Nc1ccc(cc1)NC(c1cc(ccc1)N1C(C=CC1=O)=O)=O)=O