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Substance Name: Eledoisin trifluoroacetate
RN: 10129-92-7
UNII: T9L8F7448X
InChIKey: LOHDZRQROMPBGG-JSMOHVFGSA-N

Molecular Formula

  • C54-H85-N13-O15-S.C2-H-F3-O2

Molecular Weight

  • 1302.4294
 
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Names and Synonyms

Name of Substance

  • Eledoisin trifluoroacetate

Synonyms

  • 5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide trifluoroacetate
  • Acetic acid, trifluoro-, compd. with eledoisin (1:1)
  • Eledoisin trifluoroacetate
  • Eledoisin trifluoroacetate [MI]
  • Eledoisin trifluoroacetate [WHO-DD]
  • Eledoisin, mono(trifluoroacetate) (salt)
  • Eloisin
  • UNII-T9L8F7448X

Registry Numbers

CAS Registry Number

  • 10129-92-7

FDA UNII

  • T9L8F7448X

System Generated Number

  • 0010129927

Structure Descriptors

InChI

1S/C54H85N13O15S.C2HF3O2/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35;3-2(4,5)1(6)7/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72);(H,6,7)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-;/m0./s1

InChIKey

LOHDZRQROMPBGG-JSMOHVFGSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3.C(=O)(C(F)(F)F)O