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Substance Name: Mycosubtiline
RN: 1392-60-5
InChIKey: RCIPRGNHNAEGHR-ZLHAWHIKSA-N

Notes

  • Antifungal agent isolated from Bacillus subtilis which is a mixture of homologous lipopeptides.
  • Isolated from Bacillus subtilis

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • Unspecified

Molecular Weight

  • 1199.3664
 
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Names and Synonyms

Name of Substance

  • Mycosubtiline

Systematic Names

  • Mycosubtilin
  • Pyrrolo(1,2-g)(1,4,7,10,13,16,19,22,25)nonaazacyclooctacosine, cyclic peptide deriv.

Registry Numbers

CAS Registry Number

  • 1392-60-5

Other Registry Number

  • 59112-50-4

System Generated Number

  • 0001392605

Structure Descriptors

InChI

1S/C55H86N14O16/c1-3-30(2)13-10-8-6-4-5-7-9-11-14-32-24-47(77)62-36(25-43(57)73)50(80)63-34(20-21-42(56)72)55(85)69-22-12-15-41(69)54(84)67-35(23-31-16-18-33(71)19-17-31)49(79)64-38(27-45(59)75)51(81)65-39(28-46(60)76)52(82)68-40(29-70)53(83)66-37(26-44(58)74)48(78)61-32/h16-19,30,32,34-41,70-71H,3-15,20-29H2,1-2H3,(H2,56,72)(H2,57,73)(H2,58,74)(H2,59,75)(H2,60,76)(H,61,78)(H,62,77)(H,63,80)(H,64,79)(H,65,81)(H,66,83)(H,67,84)(H,68,82)/t30?,32?,34-,35+,36-,37-,38+,39+,40+,41-/m0/s1

InChIKey

RCIPRGNHNAEGHR-ZLHAWHIKSA-N

Smiles

CCC(C)CCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CO)CC(=O)N)CC(=O)N)Cc3ccc(cc3)O)CCC(=O)N)CC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 20mg/kg (20mg/kg)   Journal of Clinical Investigation. Vol. 28, Pg. 924, 1949.