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Substance Name: Patellamide D
RN: 120853-15-8
InChIKey: HZUISCIYFHWTKA-WLCQTKGUSA-N

Note

  • From marine invertebrate Lissoclinum patella.

Molecular Formula

  • C38-H48-N8-O6-S2

Molecular Weight

  • 776.979
 
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Names and Synonyms

Name of Substance

  • Patellamide D

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120853-15-8

System Generated Number

  • 0120853158

Structure Descriptors

InChI

1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1

InChIKey

HZUISCIYFHWTKA-WLCQTKGUSA-N

Smiles

n1c2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(N[C@@H](c3nc(cs3)C(N[C@@H]([C@H](CC)C)C3=N[C@@H]([C@H](O3)C)C(N[C@@H](c1sc2)Cc1ccccc1)=O)=O)C)=O)[C@H](CC)C