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Substance Name: Endorphin, ala-2-
RN: 65041-91-0
InChIKey: JKENQQMJFVQYOT-XQDDRALOSA-N

Note

  • Causes impaired performance in rats.

Molecular Formula

  • C156-H252-N42-O44-S

Molecular Weight

  • 3452.0228
 
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Names and Synonyms

Name of Substance

  • Endorphin, ala-2-

Synonyms

  • (D-Ala(2))beta-endorphin
  • 2-D-Alanine-beta-endorphin

Systematic Name

  • beta-Endorphin (sheep), 2-D-alanine-

Registry Numbers

CAS Registry Number

  • 65041-91-0

System Generated Number

  • 0065041910

Structure Descriptors

InChI

1S/C156H252N42O44S/c1-18-82(9)123(151(236)183-100(45-30-35-62-161)135(220)187-110(71-117(165)207)140(225)172-85(12)129(214)184-109(70-93-73-167-78-170-93)145(230)179-97(42-27-32-59-158)133(218)176-96(41-26-31-58-157)132(217)169-75-119(209)174-104(156(241)242)52-55-116(164)206)194-152(237)124(83(10)19-2)193-130(215)86(13)173-141(226)111(72-118(166)208)186-134(219)98(43-28-33-60-159)178-144(229)108(69-91-39-24-21-25-40-91)185-142(227)105(65-79(3)4)189-153(238)126(88(15)202)196-150(235)122(81(7)8)192-146(231)106(66-80(5)6)188-149(234)114-46-36-63-198(114)155(240)127(89(16)203)197-138(223)101(51-54-115(163)205)180-147(232)112(76-199)190-136(221)99(44-29-34-61-160)177-137(222)102(53-56-121(211)212)181-148(233)113(77-200)191-154(239)125(87(14)201)195-139(224)103(57-64-243-17)182-143(228)107(68-90-37-22-20-23-38-90)175-120(210)74-168-128(213)84(11)171-131(216)95(162)67-92-47-49-94(204)50-48-92/h20-25,37-40,47-50,73,78-89,95-114,122-127,199-204H,18-19,26-36,41-46,51-72,74-77,157-162H2,1-17H3,(H2,163,205)(H2,164,206)(H2,165,207)(H2,166,208)(H,167,170)(H,168,213)(H,169,217)(H,171,216)(H,172,225)(H,173,226)(H,174,209)(H,175,210)(H,176,218)(H,177,222)(H,178,229)(H,179,230)(H,180,232)(H,181,233)(H,182,228)(H,183,236)(H,184,214)(H,185,227)(H,186,219)(H,187,220)(H,188,234)(H,189,238)(H,190,221)(H,191,239)(H,192,231)(H,193,215)(H,194,237)(H,195,224)(H,196,235)(H,197,223)(H,211,212)(H,241,242)/t82-,83-,84+,85-,86-,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,122-,123-,124-,125-,126-,127-/m0/s1

InChIKey

JKENQQMJFVQYOT-XQDDRALOSA-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)[C@@H](C)NC(=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](Cc5cnc[nH]5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O