Chem
J-GLOBAL ID：200907068666666007   Nikkaji number：J10.597J

Gramicidin S

グラミシジンS
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C60H92N12O10
Molecular formula furigana： C60-H92-N12-O10
Molecular weight： 1141.470
InChI： InChI=1S/C60H92N12O10/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)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
InChI key： IUAYMJGZBVDSGL-XNNAEKOYSA-N
SMILES： CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Systematic name  (6)：
  • シクロ(L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-)
  • シクロ(L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-)
  • シクロ[L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-]
  • シクロ(Val-Orn-Leu-D-Phe-Pro-Val-Orn-Leu-D-Phe-Pro-)
  • (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-ビス(3-アミノプロピル)-3,21-ジベンジル-6,24-ビス(2-メチルプロピル)-12,30-ビス(プロパン-2-イル)-1,4,7,10,13,19,22,25,28,31-デカアザトリシクロ[31.3.0.015,19]ヘキサトリアコンタン-2,5,8,11,14,20,23,26,29,32-デカオン
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Other name (18)：
  • グラミシジンS
  • グラミシジンSA
  • ソビエトグラミシジンC
  • Gramicidin S
  • Gramicidin S-A
Show all
CAS registry number： 113-73-5
Regulation number (1)：
  • 8-(3)-404
KEGG COMPOUND： C11218
Application (1)：
antimicrobial action
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