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Substance Name: Kahalalide A
RN: 179733-11-0
InChIKey: WEBZVDAMOOBHRC-DRVIOHKISA-N

Note

  • Has antimycobacterial activity; isolated from the mollusk Elysia rufescens.

Molecular Formula

  • C46-H67-N7-O11

Molecular Weight

  • 894.073
 
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Names and Synonyms

Synonym

  • L-Serine, N-(N-(N-(N-(N-(N-(N-(2-methyl-1-oxobutyl)-D-phenylalanyl)-L-threonyl)-D-leucyl)-D-phenylalanyl)-D-leucyl)-L-threonyl)-, rho-lactone

Systematic Name

  • Kahalalide A

Registry Numbers

CAS Registry Number

  • 179733-11-0

System Generated Number

  • 0179733110

Structure Descriptors

InChI

1S/C46H67N7O11/c1-9-27(6)39(56)47-35(23-31-18-14-11-15-19-31)43(60)53-38-29(8)64-46(63)36(24-54)51-44(61)37(28(7)55)52-42(59)33(21-26(4)5)48-41(58)34(22-30-16-12-10-13-17-30)49-40(57)32(20-25(2)3)50-45(38)62/h10-19,25-29,32-38,54-55H,9,20-24H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,62)(H,51,61)(H,52,59)(H,53,60)/t27?,28-,29+,32-,33+,34-,35-,36+,37-,38-/m1/s1

InChIKey

WEBZVDAMOOBHRC-DRVIOHKISA-N

Smiles

N1[C@@H](C(N[C@H](C(O[C@H]([C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H](C1=O)CC(C)C)=O)Cc1ccccc1)=O)CC(C)C)NC([C@H](NC(=O)[C@@H](CC)C)Cc1ccccc1)=O)C)=O)CO)=O)[C@H](O)C