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Substance Name: A 76889
RN: 134805-77-9
InChIKey: QPVWMQXBTCSLCB-RRUVMKMCSA-N

Molecular Formula

  • C44-H58-N8-O6

Molecular Weight

  • 794.992
 
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Names and Synonyms

Name of Substance

  • A 76889

Synonyms

  • A-76889
  • A76889

Systematic Name

  • L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyridinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(S)),5(S))-

Registry Numbers

CAS Registry Number

  • 134805-77-9

Other Registry Number

  • 137545-03-0

System Generated Number

  • 0134805779

Structure Descriptors

InChI

1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1

InChIKey

QPVWMQXBTCSLCB-RRUVMKMCSA-N

Smiles

C(N[C@H](C(N[C@H]([C@H]([C@@H]([C@@H](NC([C@@H](NC(N(Cc1ncccc1)C)=O)C(C)C)=O)Cc1ccccc1)O)O)Cc1ccccc1)=O)C(C)C)(N(Cc1ncccc1)C)=O