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Substance Name: Gramicidin J, mono-N-methanesulfonate
RN: 101563-92-2
InChIKey: LHGZKNHSNJKJQI-ZCENXJFASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C44-H65-N9-O7.C-H4-O3-S

Molecular Weight

  • 928.1591
 
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Names and Synonyms

  • Gramicidin J, mono-N-methanesulfonate

Registry Numbers

CAS Registry Number

  • 101563-92-2

System Generated Number

  • 0101563922

Molecular Formulas

Molecular Formula

  • C44-H65-N9-O7.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C44-H65-N9-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C44H65N9O7.CH4O3S/c1-27(2)24-33-40(56)51-35(26-30-16-9-6-10-17-30)44(60)53-23-13-20-36(53)42(58)47-32(19-12-22-46)39(55)52-37(28(3)4)43(59)48-31(18-11-21-45)38(54)50-34(41(57)49-33)25-29-14-7-5-8-15-29;1-5(2,3)4/h5-10,14-17,27-28,31-37H,11-13,18-26,45-46H2,1-4H3,(H,47,58)(H,48,59)(H,49,57)(H,50,54)(H,51,56)(H,52,55);1H3,(H,2,3,4)/t31-,32+,33+,34+,35-,36-,37-;/m0./s1

InChIKey

LHGZKNHSNJKJQI-ZCENXJFASA-N

Smiles

CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC1=O)C(C)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 298mg/kg (298mg/kg)   Journal of Antibiotics, Series A. Vol. 13, Pg. 287, 1960.