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Substance Name: beta-Endorphin, trp(27)
RN: 81514-80-9
InChIKey: OWOFNLZLAHLEOH-AFKLHAOASA-N

Note

  • Tryptophan replaces tyrosine in position 27.

Molecular Formula

  • C160-H262-N40-O45-S

Molecular Weight

  • 3488.0518
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin, trp(27)

Synonyms

  • (Trp27)-beta-human endorphin
  • 27-Tryptophyl-beta-endorphin

Systematic Name

  • beta-Endorphin, 27-L-tryptophan-31-L-glutamic acid-

Registry Numbers

CAS Registry Number

  • 81514-80-9

Other Registry Number

  • 81876-35-9

System Generated Number

  • 0081514809

Structure Descriptors

InChI

1S/C160H252N40O45S/c1-17-85(9)128(155(239)185-104(48-31-36-65-165)139(223)189-114(74-120(168)208)144(228)174-87(11)133(217)186-113(73-95-76-170-99-43-26-25-42-97(95)99)149(233)181-101(45-28-33-62-162)137(221)178-100(44-27-32-61-161)136(220)173-79-124(212)176-108(160(244)245)56-59-126(215)216)196-156(240)129(86(10)18-2)195-134(218)88(12)175-145(229)115(75-121(169)209)188-138(222)102(46-29-34-63-163)180-148(232)112(72-93-40-23-20-24-41-93)187-146(230)109(68-82(3)4)191-157(241)131(90(14)204)198-154(238)127(84(7)8)194-150(234)110(69-83(5)6)190-153(237)118-49-37-66-200(118)159(243)132(91(15)205)199-142(226)105(54-57-119(167)207)182-151(235)116(80-201)192-140(224)103(47-30-35-64-164)179-141(225)106(55-58-125(213)214)183-152(236)117(81-202)193-158(242)130(89(13)203)197-143(227)107(60-67-246-16)184-147(231)111(71-92-38-21-19-22-39-92)177-123(211)78-171-122(210)77-172-135(219)98(166)70-94-50-52-96(206)53-51-94/h19-26,38-43,50-53,76,82-91,98,100-118,127-132,170,201-206H,17-18,27-37,44-49,54-75,77-81,161-166H2,1-16H3,(H2,167,207)(H2,168,208)(H2,169,209)(H,171,210)(H,172,219)(H,173,220)(H,174,228)(H,175,229)(H,176,212)(H,177,211)(H,178,221)(H,179,225)(H,180,232)(H,181,233)(H,182,235)(H,183,236)(H,184,231)(H,185,239)(H,186,217)(H,187,230)(H,188,222)(H,189,223)(H,190,237)(H,191,241)(H,192,224)(H,193,242)(H,194,234)(H,195,218)(H,196,240)(H,197,227)(H,198,238)(H,199,226)(H,213,214)(H,215,216)(H,244,245)/t85-,86-,87-,88-,89+,90+,91+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,127-,128-,129-,130-,131-,132-/m0/s1

InChIKey

OWOFNLZLAHLEOH-AFKLHAOASA-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)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)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](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O