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Substance Name: Mulundocandin
RN: 108351-20-8
UNII: LGZ0KKQ79A
InChIKey: WUPSJTQKGFMDON-FUMJLYDLSA-N

Note

  • A cyclic hexapeptide echinocandin from Aspergillus sydowi No. Y-30462; active against yeasts and filamentous fungi.

Molecular Formula

  • C48-H77-N7-O16

Molecular Weight

  • 1008.1693
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
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Names and Synonyms

Name of Substance

  • Mulundocandin

Synonym

  • UNII-LGZ0KKQ79A

Systematic Names

  • Echinocandin B, 1-(4,5-dihydroxy-N-(12-methyl-1-oxotetradecyl)ornithine)-5-serine-
  • Echinocandin B, 1-(4,5-dihydroxy-N2-(12-methyl-1-oxotetradecyl)ornithine)-5-serine-

Registry Numbers

CAS Registry Number

  • 108351-20-8

FDA UNII

  • LGZ0KKQ79A

System Generated Number

  • 0108351208

Structure Descriptors

InChI

1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69)/t25?,26-,27+,30+,31-,32-,33-,34+,36-,37-,38-,39-,40?,41-,44+/m0/s1

InChIKey

WUPSJTQKGFMDON-FUMJLYDLSA-N

Smiles

CCC(C)CCCCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)C(O)c4ccc(O)cc4