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Substance Name: Cholyltetraglycylhistamine
RN: 98584-70-4
InChIKey: BLDKLXOVVLBBIN-KZAFNTRISA-N

Molecular Formula

  • C37-H59-N7-O8

Molecular Weight

  • 729.914
 
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Names and Synonyms

Name of Substance

  • Cholyltetraglycylhistamine

Synonym

  • C-(Gly)4-H

Systematic Name

  • Glycinamide, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)glycylglycylglycyl-N-(2-(1H-imidazol-4-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 98584-70-4

System Generated Number

  • 0098584704

Structure Descriptors

InChI

1S/C37H59N7O8/c1-21(25-5-6-26-35-27(14-29(47)37(25,26)3)36(2)10-8-24(45)12-22(36)13-28(35)46)4-7-30(48)40-17-32(50)42-19-34(52)43-18-33(51)41-16-31(49)39-11-9-23-15-38-20-44-23/h15,20-22,24-29,35,45-47H,4-14,16-19H2,1-3H3,(H,38,44)(H,39,49)(H,40,48)(H,41,51)(H,42,50)(H,43,52)/t21-,22+,24-,25-,26+,27+,28-,29+,35+,36+,37-/m1/s1

InChIKey

BLDKLXOVVLBBIN-KZAFNTRISA-N

Smiles

C(=O)(NCC(=O)NCCc1cnc[nH]1)CNC(CNC(CNC(CC[C@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@@]4(C)[C@H]3C[C@@H](O)[C@@]12C)O)C)=O)=O)=O