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Substance Name: Peforelin [INN]
RN: 147859-97-0
UNII: UJ8NQ5Z0VX
InChIKey: RTASYRSYWSLWJV-CSYZDTNESA-N

Molecular Formula

  • C59-H74-N18-O14

Molecular Weight

  • 1259.3456
 
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Names and Synonyms

Name of Substance

  • Peforelin [INN]

Synonyms

  • 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-histidyl-L-alpha-asparagyl-L-tryptophyl-L-lysyl-L-prolylglycinamide
  • Peforelin
  • UNII-UJ8NQ5Z0VX

Registry Numbers

CAS Registry Number

  • 147859-97-0

FDA UNII

  • UJ8NQ5Z0VX

System Generated Number

  • 0147859970

Structure Descriptors

InChI

1S/C59H74N18O14/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

RTASYRSYWSLWJV-CSYZDTNESA-N

Smiles

c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N)NC(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@@H]8CCC(=O)N8