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Substance Name: WF 11899A
RN: 160335-87-5
InChIKey: NTFPVIYHGLEXMD-FWJXJSAQSA-N

Note

  • A lipopeptide isolated from Coleophoma empetri.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H82-N8-O21-S

Molecular Weight

  • 1175.31
 
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Names and Synonyms

Name of Substance

  • WF 11899A

Synonym

  • WF 11899A

Systematic Names

  • Proline, 4,5-dihydroxy-N(sup 2)-(1-oxohexadecyl)ornithylthreonyl-4-hydroxyprolyl-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)threonyl-3-hydroxyglutaminyl-3-hydroxy-4-methyl-, cyclic (6-1)-peptide
  • Proline, 4,5-dihydroxy-N2-(1-oxohexadecyl)ornithylthreonyl-4-hydroxyprolyl-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)threonyl-3-hydroxyglutaminyl-3-hydroxy-4-methyl-, cyclic (6->1)-peptide

Registry Numbers

CAS Registry Number

  • 160335-87-5

System Generated Number

  • 0160335875

Structure Descriptors

InChI

1S/C51H82N8O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38(66)55-32(23-35(64)44(54)70)45(71)56-41(28(3)61)46(72)58-26-31(62)22-33(58)42(68)51(76)49(43(69)40(53)27(2)60)47(73)57-48(74,24-37(52)65)25-39(67)59(49)29(4)50(51,75)30-19-20-34(63)36(21-30)80-81(77,78)79/h19-21,27-29,31-33,35,40-41,44,60-64,70,74-76H,5-18,22-26,53-54H2,1-4H3,(H2,52,65)(H,55,66)(H,56,71)(H,57,73)(H,77,78,79)/t27-,28-,29?,31?,32+,33+,35?,40+,41+,44?,48?,49-,50?,51?/m1/s1

InChIKey

NTFPVIYHGLEXMD-FWJXJSAQSA-N

Smiles

C1([C@@]2(N([C@@H]([C@@]([C@@]2(O)C([C@H]2N(C[C@@H](C2)O)C([C@@H](NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)C[C@@H]([C@@H](N)O)O)=O)[C@@H](C)O)=O)=O)(c2cc(c(cc2)O)OS(=O)(=O)O)O)C)C(C[C@@](CC(=O)N)(O)N1)=O)C([C@@H](N)[C@@H](C)O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 47, Pg. 1084, 1994.