Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Secapin (honeybee reduced)
RN: 66327-76-2
InChIKey: MKPSMVCZKPESNG-WBHDHAESSA-N

Molecular Formula

  • C131-H215-N37-O31-S2

Molecular Weight

  • 2868.4995
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Secapin (honeybee reduced)

Registry Numbers

CAS Registry Number

  • 66327-76-2

System Generated Number

  • 0066327762

Structure Descriptors

InChI

1S/C131H215N37O31S2/c1-15-71(11)101(119(189)151-80(37-23-25-51-133)107(177)153-85(62-95(135)171)111(181)147-81(38-26-52-142-129(136)137)108(178)155-88(66-200)115(185)149-83(40-28-54-144-131(140)141)110(180)157-98(68(5)6)118(188)162-104(74(14)18-4)121(191)159-100(70(9)10)127(197)168-59-33-45-94(168)128(198)199)161-112(182)84(61-75-34-20-19-21-35-75)152-106(176)79(36-22-24-50-132)148-114(184)87(65-169)146-96(172)64-145-116(186)90-41-29-55-164(90)124(194)92-43-31-57-166(92)123(193)89(67-201)156-109(179)82(39-27-53-143-130(138)139)150-117(187)91-42-30-56-165(91)125(195)93-44-32-58-167(93)126(196)99(69(7)8)158-113(183)86(63-97(173)174)154-120(190)102(72(12)16-2)163-122(192)103(73(13)17-3)160-105(175)78(134)60-76-46-48-77(170)49-47-76/h19-21,34-35,46-49,68-74,78-94,98-104,169-170,200-201H,15-18,22-33,36-45,50-67,132-134H2,1-14H3,(H2,135,171)(H,145,186)(H,146,172)(H,147,181)(H,148,184)(H,149,185)(H,150,187)(H,151,189)(H,152,176)(H,153,177)(H,154,190)(H,155,178)(H,156,179)(H,157,180)(H,158,183)(H,159,191)(H,160,175)(H,161,182)(H,162,188)(H,163,192)(H,173,174)(H,198,199)(H4,136,137,142)(H4,138,139,143)(H4,140,141,144)/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

MKPSMVCZKPESNG-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](CS)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)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N6CCC[C@H]6C(=O)O)NC(=O)[C@H](Cc7ccc(cc7)O)N