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Substance Name: N-Dimethyl beta-endorphin
RN: 80738-37-0
InChIKey: LNCGGMBDRUIOMJ-JVHZXUBOSA-N

Note

  • Synthetic stable endorphin analog.

Molecular Formula

  • C167-H274-N42-O44-S

Molecular Weight

  • 3549.2659
 
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Names and Synonyms

Name of Substance

  • N-Dimethyl beta-endorphin

Synonym

  • NDMBE

Systematic Names

  • beta-Endorphin (sheep), N,N-dimethyl-9-(N6,N6-dimethyl-L-lysine)-19-(N6,N6-dimethyl-L-lysine)-24-(N6,N6-dimethyl-L-lysine)-28-(N6,N6-dimethyl-L-lysine)-29-(N6,N6-dimethyl-L-lysine)-
  • beta-Endorphin, N,N-dimethyl-9-(N6,N6-dimethyl-L-lysine)-19-(N6,N6-dimethyl-L-lysine)-24-(N6,N6-dimethyl-L-lysine)-28-(N6,N6-dimethyl-L-lysine)-29-(N6,N6-dimethyl-L-lysine)-

Registry Numbers

CAS Registry Number

  • 80738-37-0

System Generated Number

  • 0080738370

Structure Descriptors

InChI

1S/C165H271N41O43S/c1-29-93(9)133(160(243)184-109(56-41-46-73-204(24)25)143(226)189-119(82-127(168)215)148(231)174-95(11)138(221)186-118(81-103-84-170-89-173-103)153(236)180-105(52-37-42-69-200(16)17)140(223)177-106(53-38-43-70-201(18)19)141(224)185-113(165(248)249)63-66-126(167)214)196-161(244)134(94(10)30-2)195-139(222)96(12)175-149(232)120(83-128(169)216)188-142(225)107(54-39-44-71-202(20)21)179-152(235)117(79-101-50-35-32-36-51-101)187-150(233)114(76-90(3)4)191-162(245)136(98(14)210)198-159(242)132(92(7)8)194-154(237)115(77-91(5)6)190-158(241)123-57-47-74-206(123)164(247)137(99(15)211)199-146(229)110(62-65-125(166)213)181-155(238)121(87-207)192-144(227)108(55-40-45-72-203(22)23)178-145(228)111(64-67-131(219)220)182-156(239)122(88-208)193-163(246)135(97(13)209)197-147(230)112(68-75-250-28)183-151(234)116(78-100-48-33-31-34-49-100)176-130(218)86-171-129(217)85-172-157(240)124(205(26)27)80-102-58-60-104(212)61-59-102/h31-36,48-51,58-61,84,89-99,105-124,132-137,207-212H,29-30,37-47,52-57,62-83,85-88H2,1-28H3,(H2,166,213)(H2,167,214)(H2,168,215)(H2,169,216)(H,170,173)(H,171,217)(H,172,240)(H,174,231)(H,175,232)(H,176,218)(H,177,223)(H,178,228)(H,179,235)(H,180,236)(H,181,238)(H,182,239)(H,183,234)(H,184,243)(H,185,224)(H,186,221)(H,187,233)(H,188,225)(H,189,226)(H,190,241)(H,191,245)(H,192,227)(H,193,246)(H,194,237)(H,195,222)(H,196,244)(H,197,230)(H,198,242)(H,199,229)(H,219,220)(H,248,249)/t93-,94-,95-,96-,97+,98+,99+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,132-,133-,134-,135-,136-,137-/m0/s1

InChIKey

LNCGGMBDRUIOMJ-JVHZXUBOSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN(C)C)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](CCCCN(C)C)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](Cc4ccc(O)cc4)N(C)C)[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](CCCCN(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O