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Substance Name: beta-Endorphin (1-27)
RN: 66954-40-3
InChIKey: YJSWNLXQDXMHRT-BSNLFYLESA-N

Molecular Formula

  • C136-H215-N35-O39-S

Molecular Weight

  • 2996.4665
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin (1-27)

Synonym

  • beta-Endorphin(1-27)

Systematic Name

  • beta-Endorphin, 28-de-L-lysine-29-de-L-lysine-30-deglycine-31-de-L-glutamine-

Registry Numbers

CAS Registry Number

  • 66954-40-3

System Generated Number

  • 0066954403

Structure Descriptors

InChI

1S/C136H215N35O39S/c1-17-71(9)107(131(204)156-86(38-27-30-51-139)116(189)159-94(60-101(142)179)121(194)148-73(11)112(185)162-96(136(209)210)59-81-62-144-67-147-81)167-132(205)108(72(10)18-2)166-113(186)74(12)149-122(195)95(61-102(143)180)158-115(188)84(36-25-28-49-137)152-125(198)93(58-79-34-23-20-24-35-79)157-123(196)90(54-68(3)4)161-133(206)110(76(14)175)169-130(203)106(70(7)8)165-126(199)91(55-69(5)6)160-129(202)99-39-31-52-171(99)135(208)111(77(15)176)170-119(192)87(44-46-100(141)178)153-127(200)97(65-172)163-117(190)85(37-26-29-50-138)151-118(191)88(45-47-105(183)184)154-128(201)98(66-173)164-134(207)109(75(13)174)168-120(193)89(48-53-211-16)155-124(197)92(57-78-32-21-19-22-33-78)150-104(182)64-145-103(181)63-146-114(187)83(140)56-80-40-42-82(177)43-41-80/h19-24,32-35,40-43,62,67-77,83-99,106-111,172-177H,17-18,25-31,36-39,44-61,63-66,137-140H2,1-16H3,(H2,141,178)(H2,142,179)(H2,143,180)(H,144,147)(H,145,181)(H,146,187)(H,148,194)(H,149,195)(H,150,182)(H,151,191)(H,152,198)(H,153,200)(H,154,201)(H,155,197)(H,156,204)(H,157,196)(H,158,188)(H,159,189)(H,160,202)(H,161,206)(H,162,185)(H,163,190)(H,164,207)(H,165,199)(H,166,186)(H,167,205)(H,168,193)(H,169,203)(H,170,192)(H,183,184)(H,209,210)/t71-,72-,73-,74-,75+,76+,77+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-,109-,110-,111-/m0/s1

InChIKey

YJSWNLXQDXMHRT-BSNLFYLESA-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](Cc5cnc[nH]5)C(=O)O