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Substance Name: Segetalin E
RN: 177602-12-9
InChIKey: PFLNHBDSHKCNNW-OPGKZIRUSA-N

Note

  • Isolated from Vaccaria segetalis.

Molecular Formula

  • C43-H56-N8-O8

Molecular Weight

  • 812.963
 
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Names and Synonyms

Results Name

  • Segetalin E

Synonyms

  • Segetalin E
  • Vaccarin C

Systematic Name

  • Cyclo(glycyl-L-tyrosyl-L-valyl-L-prolyl-L-leucyl-L-tryptophyl-L-prolyl)

Registry Numbers

CAS Registry Number

  • 177602-12-9

Other Registry Number

  • 680591-79-1

System Generated Number

  • 0177602129

Structure Descriptors

InChI

1S/C43H56N8O8/c1-24(2)19-31-38(54)48-33(21-27-22-44-30-10-6-5-9-29(27)30)42(58)50-17-7-11-34(50)40(56)45-23-36(53)46-32(20-26-13-15-28(52)16-14-26)39(55)49-37(25(3)4)43(59)51-18-8-12-35(51)41(57)47-31/h5-6,9-10,13-16,22,24-25,31-35,37,44,52H,7-8,11-12,17-21,23H2,1-4H3,(H,45,56)(H,46,53)(H,47,57)(H,48,54)(H,49,55)/t31-,32-,33-,34-,35-,37-/m0/s1

InChIKey

PFLNHBDSHKCNNW-OPGKZIRUSA-N

Smiles

c1c2[nH]cc(c2ccc1)C[C@@H]1NC([C@H](CC(C)C)NC(=O)[C@H]2N(CCC2)C(=O)[C@H](C(C)C)NC([C@@H](NC(CNC(=O)[C@H]2N(CCC2)C1=O)=O)Cc1ccc(cc1)O)=O)=O