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Substance Name: beta-Endorphin, arg(9,19,24,28,29)-
RN: 84779-04-4
InChIKey: WPRFWVBSGYJJNJ-GKOQSMNRSA-N

Molecular Formula

  • C158-H251-N49-O46-S

Molecular Weight

  • 3577.0699
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin, arg(9,19,24,28,29)-

Synonyms

  • Arg(9,19,24,28,29)-beta-endorphin
  • Arginine(9,19,24,28,29)-beta-endorphin
  • BE-5-Arg
  • beta-Endorphin, arginine(9,19,24,28,29)-

Systematic Name

  • beta-Endorphin (sheep), 9-L-arginine-19-L-24-L-arginine-27-L-tyrosine-28-L-arginine-19-L-arginine-31-L-glutamic acid-

Registry Numbers

CAS Registry Number

  • 84779-04-4

System Generated Number

  • 0084779044

Structure Descriptors

InChI

1S/C158H251N47O46S/c1-17-80(9)122(149(245)190-98(40-30-61-175-158(170)171)133(229)194-108(70-114(162)214)138(234)179-82(11)127(223)191-106(69-90-44-48-92(212)49-45-90)142(238)185-95(37-27-58-172-155(164)165)131(227)183-94(36-25-26-57-159)130(226)178-74-118(218)181-102(154(250)251)52-55-120(221)222)201-150(246)123(81(10)18-2)200-128(224)83(12)180-139(235)109(71-115(163)215)193-132(228)96(38-28-59-173-156(166)167)186-143(239)107(68-88-34-23-20-24-35-88)192-140(236)103(64-77(3)4)196-151(247)125(85(14)209)203-148(244)121(79(7)8)199-144(240)104(65-78(5)6)195-147(243)112-41-31-62-205(112)153(249)126(86(15)210)204-136(232)99(50-53-113(161)213)187-145(241)110(75-206)197-134(230)97(39-29-60-174-157(168)169)184-135(231)100(51-54-119(219)220)188-146(242)111(76-207)198-152(248)124(84(13)208)202-137(233)101(56-63-252-16)189-141(237)105(67-87-32-21-19-22-33-87)182-117(217)73-176-116(216)72-177-129(225)93(160)66-89-42-46-91(211)47-43-89/h19-24,32-35,42-49,77-86,93-112,121-126,206-212H,17-18,25-31,36-41,50-76,159-160H2,1-16H3,(H2,161,213)(H2,162,214)(H2,163,215)(H,176,216)(H,177,225)(H,178,226)(H,179,234)(H,180,235)(H,181,218)(H,182,217)(H,183,227)(H,184,231)(H,185,238)(H,186,239)(H,187,241)(H,188,242)(H,189,237)(H,190,245)(H,191,223)(H,192,236)(H,193,228)(H,194,229)(H,195,243)(H,196,247)(H,197,230)(H,198,248)(H,199,240)(H,200,224)(H,201,246)(H,202,233)(H,203,244)(H,204,232)(H,219,220)(H,221,222)(H,250,251)(H4,164,165,172)(H4,166,167,173)(H4,168,169,174)(H4,170,171,175)/t80-,81-,82-,83-,84+,85+,86+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1

InChIKey

WPRFWVBSGYJJNJ-GKOQSMNRSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc4ccc(O)cc4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O