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Substance Name: Ascidiacyclamide
RN: 86701-12-4
InChIKey: QBRRPBPLIGDANJ-AXCFFLBZSA-N

Note

  • Isolated from the marine tunicate Ascidian.

Molecular Formula

  • C36-H52-N8-O6-S2

Molecular Weight

  • 756.989
 
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Names and Synonyms

Name of Substance

  • Ascidiacyclamide

Synonyms

  • Cyclo(thiazole-D-val-oxazoline-L-ile)2
  • Cyclo(thiazole-D-valyl-oxazoline-L-isoleucyl)2

Systematic Name

  • Ulithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-bis(1-methylethyl)-1,15-bis(1-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 86701-12-4

System Generated Number

  • 0086701124

Structure Descriptors

InChI

1S/C36H52N8O6S2/c1-11-17(7)25-33-43-27(19(9)49-33)31(47)39-24(16(5)6)36-38-22(14-52-36)30(46)42-26(18(8)12-2)34-44-28(20(10)50-34)32(48)40-23(15(3)4)35-37-21(13-51-35)29(45)41-25/h13-20,23-28H,11-12H2,1-10H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t17-,18-,19+,20+,23+,24+,25-,26-,27-,28-/m0/s1

InChIKey

QBRRPBPLIGDANJ-AXCFFLBZSA-N

Smiles

N1[C@@H](c2scc(C(=O)N[C@H]([C@H](CC)C)C=3O[C@@H]([C@H](N3)C(=O)N[C@H](C(C)C)c3nc(cs3)C(N[C@H](C=3O[C@@H]([C@@H](C1=O)N3)C)[C@H](CC)C)=O)C)n2)C(C)C