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Substance Name: Cholyldiglycylhistamine
RN: 98584-68-0
InChIKey: CYMOQRVLVAJWLY-DXUXSUHXSA-N

Molecular Formula

  • C33-H53-N5-O6

Molecular Weight

  • 615.811
 
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Names and Synonyms

Name of Substance

  • Cholyldiglycylhistamine

Synonym

  • C-(Gly)2-H

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98584-68-0

System Generated Number

  • 0098584680

Structure Descriptors

InChI

1S/C33H53N5O6/c1-19(4-7-28(42)36-17-30(44)37-16-29(43)35-11-9-21-15-34-18-38-21)23-5-6-24-31-25(14-27(41)33(23,24)3)32(2)10-8-22(39)12-20(32)13-26(31)40/h15,18-20,22-27,31,39-41H,4-14,16-17H2,1-3H3,(H,34,38)(H,35,43)(H,36,42)(H,37,44)/t19-,20+,22-,23-,24+,25+,26-,27+,31+,32+,33-/m1/s1

InChIKey

CYMOQRVLVAJWLY-DXUXSUHXSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@H]4[C@](C)([C@@H](O)C[C@H]3[C@@]2(C)C1)[C@@H]([C@@H](CCC(NCC(NCC(=O)NCCc1[nH]cnc1)=O)=O)C)CC4)O)O