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Substance Name: Gramicidin S dihydrochloride
RN: 15207-30-4
UNII: A9H4RB7OLM
InChIKey: KCUAVDXLFXNGDG-MZFDKZDRSA-N

Molecular Formula

  • C60-H92-N12-O10.2Cl-H

Molecular Weight

  • 1214.38
 
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Names and Synonyms

Results Name

  • Gramicidin S dihydrochloride

Name of Substance

  • Gramicidin S hydrochloride

Synonyms

  • Gramicidin S dihydrochloride
  • UNII-A9H4RB7OLM

Registry Numbers

CAS Registry Number

  • 15207-30-4

FDA UNII

  • A9H4RB7OLM

System Generated Number

  • 0015207304

Molecular Formulas

Molecular Formula

  • C60-H92-N12-O10.2Cl-H

Molecular Formula Fragments

  • C60-H92-N12-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-;;/m0../s1

InChIKey

KCUAVDXLFXNGDG-MZFDKZDRSA-N

Smiles

C(CCN)[C@@H]1NC([C@H](C(C)C)NC([C@@H]2CCCN2C([C@H](NC([C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC([C@H]2N(C([C@@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC1=O)=O)CCC2)=O)=O)Cc1ccccc1)=O)=O)=O.Cl.Cl