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Substance Name: Eledoisin perfluoroacetate
RN: 39877-24-2
InChIKey: LOHDZRQROMPBGG-UHFFFAOYSA-N

Molecular Formula

  • C54-H85-N13-O15-S.x-C2-H-F3-O2

Molecular Weight

  • 1302.4294
 
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Names and Synonyms

Synonym

  • EINECS 254-665-9

Systematic Name

  • Eledoisin perfluoroacetate

Registry Numbers

CAS Registry Number

  • 39877-24-2

System Generated Number

  • 0039877242

Molecular Formulas

Molecular Formula

  • C54-H85-N13-O15-S.x-C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C54-H85-N13-O15-S
  • COMPONENT

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)

InChIKey

LOHDZRQROMPBGG-UHFFFAOYSA-N

Smiles

CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3.C(=O)(C(F)(F)F)O