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Substance Name: Dynorphin (3-13)
RN: 89202-80-2
InChIKey: PFFZBADPABUCLS-SLDTZEJCSA-N

Molecular Formula

  • C64-H114-N22-O12

Molecular Weight

  • 1383.7466
 
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Names and Synonyms

Name of Substance

  • Dynorphin (3-13)

Systematic Name

  • Dynorphin A (pig), 1-de-L-tyrosine-2-deglycine-14-de-L-tryptophan-15-de-L-aspartic acid-16-de-L-asparagine-17-de-L-glutamine-

Registry Numbers

CAS Registry Number

  • 89202-80-2

System Generated Number

  • 0089202802

Structure Descriptors

InChI

1S/C64H114N22O12/c1-7-39(6)51(85-54(90)43(24-16-30-75-63(70)71)78-52(88)42(23-15-29-74-62(68)69)79-55(91)46(33-37(2)3)84-57(93)48(77-50(87)36-67)35-40-19-9-8-10-20-40)59(95)81-44(25-17-31-76-64(72)73)60(96)86-32-18-26-49(86)58(94)80-41(21-11-13-27-65)53(89)83-47(34-38(4)5)56(92)82-45(61(97)98)22-12-14-28-66/h8-10,19-20,37-39,41-49,51H,7,11-18,21-36,65-67H2,1-6H3,(H,77,87)(H,78,88)(H,79,91)(H,80,94)(H,81,95)(H,82,92)(H,83,89)(H,84,93)(H,85,90)(H,97,98)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1

InChIKey

PFFZBADPABUCLS-SLDTZEJCSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN