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Substance Name: (4,4'-Dehydrophenylalanine)gramicidin S
RN: 112209-92-4
InChIKey: AARKFFQQFCIDAL-NCOOAAOESA-N

Note

  • Has stabilized bioactive conformation & strong antimicrobial activity.

Molecular Formula

  • C60-H88-N12-O10

Molecular Weight

  • 1137.4292
 
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Names and Synonyms

Name of Substance

  • (4,4'-Dehydrophenylalanine)gramicidin S

Synonyms

  • 2-((Z)-alpha,beta-didehydrophenylalanine)-7-((Z)-alpha,beta-didehydrophenylalanine)gramicidin S
  • Phe-gramicidin S

Systematic Name

  • Gramicidin S, 2-((Z)-alpha,beta-didehydrophenylalanine)-7-((Z)-alpha,beta-didehydrophenylalanine)-

Registry Numbers

CAS Registry Number

  • 112209-92-4

System Generated Number

  • 0112209924

Structure Descriptors

InChI

1S/C60H88N12O10/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/h9-14,19-22,33-38,41-44,47-50H,15-18,23-32,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/b45-33+,46-34+

InChIKey

AARKFFQQFCIDAL-NCOOAAOESA-N

Smiles

CC(CC1NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)/C(=C\c3ccccc3)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4N(C(=O)/C(=C\c5ccccc5)/NC1=O)CCC4)C(C)C)CCCN)CC(C)C)CCC2)C(C)C)CCCN)C