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Substance Name: Patellamide A
RN: 81120-73-2
InChIKey: ZGJIVWQOEHQWLW-SWTUTNCKSA-N

Note

  • A cytotoxic cyclic peptide from ascidian Lissoclinum patella.

Molecular Formula

  • C35-H50-N8-O6-S2

Molecular Weight

  • 742.962
 
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Names and Synonyms

Name of Substance

  • Patellamide A

Synonym

  • 13-Methyl-9,23-bis(1-methylethyl)-2,16-bis(1-methylpropyl)-14,28-dioxa-7,21-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.1(5,8).1(12,15).1(19,22)dotriaconta-1(29),5,8(30),15(31),19,22(32)-hexaene-4,11,18,25-tetraone methanol solvate monohydrate

Systematic Name

  • Ulithiacyclamide, 1,15-de(dithiobis(methylene))-4-demethyl-8,22-dide(2-methylpropyl)-8,22-bis(1-methylethyl)-1,15-bis(1-methylpropyl)-, (1S(S),8R,15S(S),22R)-

Registry Numbers

CAS Registry Number

  • 81120-73-2

System Generated Number

  • 0081120732

Structure Descriptors

InChI

1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1

InChIKey

ZGJIVWQOEHQWLW-SWTUTNCKSA-N

Smiles

C1OC2=N[C@@H]1C(N[C@@H](c1scc(C(N[C@H]([C@H](CC)C)C3=N[C@H](C(N[C@@H](c4scc(n4)C(N[C@H]2[C@H](CC)C)=O)C(C)C)=O)[C@H](O3)C)=O)n1)C(C)C)=O