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Substance Name: Patellamide C
RN: 81120-74-3
InChIKey: CFXBLGFMQUFLKS-UHFFFAOYSA-N

Note

  • From ascidian Lissoclinum patella.

Molecular Formula

  • C37-H46-N8-O6-S2

Molecular Weight

  • 762.952
 
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Names and Synonyms

Results Name

  • Patellamide C

Synonyms

  • Patellamide C
  • Ulithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-dide(2-methylpropyl)-8-methyl-1-(1-methylethyl)-15-(1-methylpropyl)-22-(phenylmethyl)-, (1S,8R,15S(S),22R)-

Systematic Names

  • 6,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone, 7,11,21-trimethyl-4-(1-methylethyl)-18-(1-methylpropyl)-25-(phenylmethyl)-, (4S-(4R*,7S*,8R*,11S*,18R*(R*),21S*,22R*,25S*))-
  • 6,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone,7,11,21-trimethyl-4-(1-methylethyl)-18-((1S)-1-methylpropyl)-25-(phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-

Registry Numbers

CAS Registry Number

  • 81120-74-3

System Generated Number

  • 0081120743

Structure Descriptors

InChI

1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)

InChIKey

CFXBLGFMQUFLKS-UHFFFAOYSA-N

Smiles

c1(ccccc1)C[C@@H]1NC([C@@H]2N=C(O[C@@H]2C)[C@@H](NC(=O)c2csc([C@@H](NC([C@@H]3[C@@H](OC([C@@H](NC(c4nc1sc4)=O)C(C)C)=N3)C)=O)C)n2)[C@@H](C)CC)=O