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Substance Name: beta-Endorphin, gln(8),gly(31)-gly-gly-NH2-
RN: 74245-17-3
InChIKey: VFFWRAVTZKBZDV-MSHNLUFASA-N

Note

  • Has analgesia inhibiting activity in rat vas deferens & guinea pig ileum.

Molecular Formula

  • C159-H255-N43-O44-S

Molecular Weight

  • 3529.0689
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin, gln(8),gly(31)-gly-gly-NH2-

Synonyms

  • 8-Glutaminyl-31-glycyl-beta-endorphin-glycyl-glycinamide
  • beta-Endorphin, 8-glutaminyl-31-glycyl-glycyl-glycinamide-
  • Ggbegg
  • Gln(8),gly(31)-beta-endorphin-gly-gly-NH2

Systematic Name

  • beta-Endorphine (sheep), 8-L-glutamine-17-L-tyrosine-31-glycine-31a-glycine-31b-glycinamide-

Registry Numbers

CAS Registry Number

  • 74245-17-3

System Generated Number

  • 0074245173

Structure Descriptors

InChI

1S/C159H251N45O44S/c1-15-84(7)128(155(244)189-103(42-27-32-61-164)139(228)193-112(70-119(168)214)144(233)179-86(9)133(222)190-111(69-95-72-171-81-178-95)149(238)185-100(39-24-29-58-161)137(226)182-99(38-23-28-57-160)136(225)177-77-125(220)174-75-123(218)173-74-122(217)172-73-121(170)216)200-156(245)129(85(8)16-2)199-134(223)87(10)180-145(234)113(71-120(169)215)192-138(227)101(40-25-30-59-162)184-147(236)109(67-92-36-21-18-22-37-92)191-148(237)110(68-94-46-50-97(211)51-47-94)195-157(246)131(89(12)208)202-154(243)127(83(5)6)198-150(239)107(64-82(3)4)194-153(242)116-43-33-62-204(116)159(248)132(90(13)209)203-142(231)105(53-55-118(167)213)187-151(240)114(79-205)196-140(229)102(41-26-31-60-163)183-141(230)104(52-54-117(166)212)186-152(241)115(80-206)197-158(247)130(88(11)207)201-143(232)106(56-63-249-14)188-146(235)108(66-91-34-19-17-20-35-91)181-126(221)78-175-124(219)76-176-135(224)98(165)65-93-44-48-96(210)49-45-93/h17-22,34-37,44-51,72,81-90,98-116,127-132,205-211H,15-16,23-33,38-43,52-71,73-80,160-165H2,1-14H3,(H2,166,212)(H2,167,213)(H2,168,214)(H2,169,215)(H2,170,216)(H,171,178)(H,172,217)(H,173,218)(H,174,220)(H,175,219)(H,176,224)(H,177,225)(H,179,233)(H,180,234)(H,181,221)(H,182,226)(H,183,230)(H,184,236)(H,185,238)(H,186,241)(H,187,240)(H,188,235)(H,189,244)(H,190,222)(H,191,237)(H,192,227)(H,193,228)(H,194,242)(H,195,246)(H,196,229)(H,197,247)(H,198,239)(H,199,223)(H,200,245)(H,201,232)(H,202,243)(H,203,231)/t84-,85-,86-,87-,88+,89+,90+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,127-,128-,129-,130-,131-,132-/m0/s1

InChIKey

VFFWRAVTZKBZDV-MSHNLUFASA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc5ccc(O)cc5)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N