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Substance Name: Secapin
RN: 58694-50-1
InChIKey: CJARBYBELTXTGO-WBHDHAESSA-N

Note

  • Peptide from bee venom.

Molecular Formula

  • C131-H213-N37-O31-S2

Molecular Weight

  • 2866.4837
 
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Names and Synonyms

Name of Substance

  • Secapin

Systematic Name

  • Secapin (honeybee)

Registry Numbers

CAS Registry Number

  • 58694-50-1

System Generated Number

  • 0058694501

Structure Descriptors

InChI

1S/C131H213N37O31S2/c1-15-71(11)101(118(188)151-81(37-23-25-51-133)108(178)154-86(62-95(136)171)111(181)152-84(40-28-54-145-131(141)142)127(197)199-128(198)94-45-33-59-168(94)126(196)100(70(9)10)159-120(190)104(74(14)18-4)162-117(187)98(68(5)6)157-110(180)83(39-27-53-144-130(139)140)148-106(176)79(135)66-200)161-112(182)85(61-75-34-20-19-21-35-75)153-107(177)80(36-22-24-50-132)149-114(184)88(65-169)147-96(172)64-146-115(185)90-41-29-55-164(90)123(193)92-43-31-57-166(92)122(192)89(67-201)156-109(179)82(38-26-52-143-129(137)138)150-116(186)91-42-30-56-165(91)124(194)93-44-32-58-167(93)125(195)99(69(7)8)158-113(183)87(63-97(173)174)155-119(189)102(72(12)16-2)163-121(191)103(73(13)17-3)160-105(175)78(134)60-76-46-48-77(170)49-47-76/h19-21,34-35,46-49,67-74,78-94,98-104,169-170,200H,15-18,22-33,36-45,50-66,132-135H2,1-14H3,(H2,136,171)(H,146,185)(H,147,172)(H,148,176)(H,149,184)(H,150,186)(H,151,188)(H,152,181)(H,153,177)(H,154,178)(H,155,189)(H,156,179)(H,157,180)(H,158,183)(H,159,190)(H,160,175)(H,161,182)(H,162,187)(H,163,191)(H,173,174)(H4,137,138,143)(H4,139,140,144)(H4,141,142,145)/t71-,72-,73-,74-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,98-,99-,100-,101-,102-,103-,104-/m0/s1

InChIKey

CJARBYBELTXTGO-WBHDHAESSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc5ccccc5)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](CCCNC(=N)N)C(=O)OC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)N)NC(=O)[C@H](Cc7ccc(cc7)O)N