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Substance Name: Cycloviolacin O2
RN: 261714-23-2
UNII: IHB9R8ET7W
InChIKey: LNKLNUAMTRHBLB-CGJDGIRVSA-N

Note

  • Macrocyclic peptide (cyclotide) from the two violets, Viola arvensis Murr. and Viola odorata (Violaceae).

Molecular Formula

  • C133-H207-N37-O39-S6

Molecular Weight

  • 3140.7143
 
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Names and Synonyms

Name of Substance

  • Cycloviolacin O2

Synonyms

  • Cyclo(Gly-Ile-Pro-Cys-Gly-Glu-Ser-Cys-Val-Trp-Ile-Pro-Cys-Ile-Ser-Ser-Ala-Ile-Gly-Cys-Ser-Cys-Lys-Ser-Lys-Val-Cys-Tyr-Arg-Asn) 4->18,6->22, 11->27 trisdisulfide
  • Cycloviolacin O2
  • Cycloviolacin-O2
  • UNII-IHB9R8ET7W

Registry Numbers

CAS Registry Number

  • 261714-23-2

FDA UNII

  • IHB9R8ET7W

System Generated Number

  • 0261714232

Structure Descriptors

InChI

1S/C133H207N37O39S6/c1-14-65(9)102-127(204)143-50-97(179)146-88-58-211-210-57-87-108(185)142-49-96(178)145-78(38-39-99(181)182)111(188)154-84(54-173)118(195)159-91-61-214-212-59-89(158-119(196)85(55-174)156-120(88)197)121(198)149-75(29-20-22-40-134)110(187)153-83(53-172)116(193)148-76(30-21-23-41-135)112(189)164-101(64(7)8)129(206)162-90(122(199)150-79(45-70-34-36-72(176)37-35-70)113(190)147-77(31-24-42-139-133(137)138)109(186)151-81(47-95(136)177)107(184)141-51-98(180)163-104(67(11)16-3)131(208)169-43-25-32-93(169)125(202)160-87)60-213-215-62-92(124(201)167-103(66(10)15-2)130(207)157-86(56-175)117(194)155-82(52-171)115(192)144-69(13)106(183)166-102)161-126(203)94-33-26-44-170(94)132(209)105(68(12)17-4)168-114(191)80(152-128(205)100(63(5)6)165-123(91)200)46-71-48-140-74-28-19-18-27-73(71)74/h18-19,27-28,34-37,48,63-69,75-94,100-105,140,171-176H,14-17,20-26,29-33,38-47,49-62,134-135H2,1-13H3,(H2,136,177)(H,141,184)(H,142,185)(H,143,204)(H,144,192)(H,145,178)(H,146,179)(H,147,190)(H,148,193)(H,149,198)(H,150,199)(H,151,186)(H,152,205)(H,153,187)(H,154,188)(H,155,194)(H,156,197)(H,157,207)(H,158,196)(H,159,195)(H,160,202)(H,161,203)(H,162,206)(H,163,180)(H,164,189)(H,165,200)(H,166,183)(H,167,201)(H,168,191)(H,181,182)(H4,137,138,139)/t65-,66-,67-,68-,69-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-/m0/s1

InChIKey

LNKLNUAMTRHBLB-CGJDGIRVSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc6ccc(O)cc6)NC3=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc7c[nH]c8ccccc78)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N2)C(C)C)[C@@H](C)CC