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Substance Name: Aureobasidin S1
RN: 153954-71-3
InChIKey: LWWLFVPYKYLVRJ-UHFFFAOYSA-N

Note

  • Produced by Aureobasidium pullulans R106; cyclic depsipeptide composed of eight amino acids & one hydroxy acid.

Molecular Weight

  • 1135.47
 
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Names and Synonyms

  • Aureobasidin S1

Registry Numbers

CAS Registry Number

  • 153954-71-3

System Generated Number

  • 0153954713

Structure Descriptors

InChI

1S/C59H90N8O12S/c1-16-38(8)48-57(75)65(13)47(37(6)7)52(70)62-43(33-39-24-19-17-20-25-39)54(72)63(11)45(34-40-26-21-18-22-27-40)56(74)67-30-23-28-44(67)50(68)60-41(29-31-80(15)78)53(71)64(12)46(36(4)5)51(69)61-42(32-35(2)3)55(73)66(14)49(58(76)79-48)59(9,10)77/h17-22,24-27,35-38,41-49,77H,16,23,28-34H2,1-15H3,(H,60,68)(H,61,69)(H,62,70)

InChIKey

LWWLFVPYKYLVRJ-UHFFFAOYSA-N

Smiles

OC([C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)[C@@H]2N(C([C@@H](Cc3ccccc3)N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]([C@@H](C)CC)OC1=O)C)C(C)C)Cc1ccccc1)C)=O)CCC2)C)C(C)C)CC(C)C)(C)C