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CHEBI:140518 - Ac-(D)Phe-Pro-boroArg-OH(1+)

ChEBI IDCHEBI:140518
ChEBI NameAc-(D)Phe-Pro-boroArg-OH(1+)
Stars
ASCII NameAc-(D)Phe-Pro-boroArg-OH(1+)
DefinitionA guanidinium ion resulting from the protonation of the guanidino group of Ac-(D)Phe-Pro-boroArg-OH. The major species at pH 7.3.
Last Modified4 April 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H34BN6O5
Net Charge+1
Average Mass461.352
Monoisotopic Mass461.26783
SMILESCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])B(O)O
InChIInChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/p+1/t16-,17+,18+/m1/s1
InChIKeyFXFYPTZERULUBS-SQNIBIBYSA-O
ChEBI Ontology
Outgoing Relation(s)
Ac-(D)Phe-Pro-boroArg-OH(1+) (CHEBI:140518) is a guanidinium ion (CHEBI:60251)
Ac-(D)Phe-Pro-boroArg-OH(1+) (CHEBI:140518) is conjugate acid of Ac-(D)Phe-Pro-boroArg-OH (CHEBI:42142)
Incoming Relation(s)
DuP-714 (CHEBI:140472) has part Ac-(D)Phe-Pro-boroArg-OH(1+) (CHEBI:140518)
Ac-(D)Phe-Pro-boroArg-OH (CHEBI:42142) is conjugate base of Ac-(D)Phe-Pro-boroArg-OH(1+) (CHEBI:140518)