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Substance Name: Tyrocidine A
RN: 1481-70-5
UNII: V134656H89
InChIKey: GSXRBRIWJGAPDU-BBVRJQLQSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C66-H87-N13-O13.Cl-H

Molecular Weight

  • 1270.4913
 
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Names and Synonyms

Name of Substance

  • Tyrocidine A

Synonyms

  • Graminic acid
  • UNII-V134656H89

Systematic Name

  • Tyrocidine A, hydrochloride

Registry Numbers

CAS Registry Number

  • 1481-70-5

FDA UNII

  • V134656H89

System Generated Number

  • 0001481705

Molecular Formulas

Molecular Formula

  • C66-H87-N13-O13.Cl-H

Molecular Formula Fragments

  • C66-H87-N13-O13
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1

InChIKey

GSXRBRIWJGAPDU-BBVRJQLQSA-N

Smiles

CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](Cc6ccccc6)NC1=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 intravenous 15mg/kg (15mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 oral 1gm/kg (1000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.