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Substance Name: N-Acetyl-beta-endorphin
RN: 75719-50-5
InChIKey: IQDIDXQRLTUVIY-LPGOOTQPSA-N

Molecular Formula

  • C157-H252-N42-O45-S

Molecular Weight

  • 3480.0328
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-beta-endorphin

Synonyms

  • alpha-N-Acetyl-beta-endorphin
  • N-ac-beta-End
  • N-Acetyl-beta-endorphin (1-31)

Systematic Name

  • beta-Endorphin (sheep), N-acetyl-

Registry Numbers

CAS Registry Number

  • 75719-50-5

System Generated Number

  • 0075719505

Structure Descriptors

InChI

1S/C157H252N42O45S/c1-18-83(9)125(152(238)184-100(45-30-35-62-162)136(222)188-111(71-118(165)209)141(227)172-85(11)130(216)185-110(70-94-73-167-79-171-94)146(232)180-97(42-27-32-59-159)134(220)177-96(41-26-31-58-158)132(218)170-76-122(213)175-104(157(243)244)52-55-117(164)208)195-153(239)126(84(10)19-2)194-131(217)86(12)173-142(228)112(72-119(166)210)187-135(221)98(43-28-33-60-160)179-145(231)109(68-92-39-24-21-25-40-92)186-143(229)105(65-80(3)4)190-154(240)128(88(14)203)197-151(237)124(82(7)8)193-147(233)106(66-81(5)6)189-150(236)115-46-36-63-199(115)156(242)129(89(15)204)198-139(225)101(51-54-116(163)207)181-148(234)113(77-200)191-137(223)99(44-29-34-61-161)178-138(224)102(53-56-123(214)215)182-149(235)114(78-201)192-155(241)127(87(13)202)196-140(226)103(57-64-245-17)183-144(230)108(67-91-37-22-20-23-38-91)176-121(212)75-168-120(211)74-169-133(219)107(174-90(16)205)69-93-47-49-95(206)50-48-93/h20-25,37-40,47-50,73,79-89,96-115,124-129,200-204,206H,18-19,26-36,41-46,51-72,74-78,158-162H2,1-17H3,(H2,163,207)(H2,164,208)(H2,165,209)(H2,166,210)(H,167,171)(H,168,211)(H,169,219)(H,170,218)(H,172,227)(H,173,228)(H,174,205)(H,175,213)(H,176,212)(H,177,220)(H,178,224)(H,179,231)(H,180,232)(H,181,234)(H,182,235)(H,183,230)(H,184,238)(H,185,216)(H,186,229)(H,187,221)(H,188,222)(H,189,236)(H,190,240)(H,191,223)(H,192,241)(H,193,233)(H,194,217)(H,195,239)(H,196,226)(H,197,237)(H,198,225)(H,214,215)(H,243,244)/t83-,84-,85-,86-,87+,88+,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,124-,125-,126-,127-,128-,129-/m0/s1

InChIKey

IQDIDXQRLTUVIY-LPGOOTQPSA-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](Cc4ccc(O)cc4)NC(=O)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(=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