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CHEBI:73010 - Ac-D-Phe-βAla-L-His-D-Pro-NH2

Default Structure
ChEBI IDCHEBI:73010
ChEBI NameAc-D-Phe-βAla-L-His-D-Pro-NH2
Stars
ASCII NameAc-D-Phe-betaAla-L-His-D-Pro-NH2
DefinitionA tetrapeptide comprising N2-acetyl-D-phenylalanine, β-alanine, L-histidine and D-prolinamide residues coupled in sequence.
Last Modified26 March 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H33N7O5
Net Charge0
Average Mass511.583
Monoisotopic Mass511.25432
SMILESCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C25H33N7O5/c1-16(33)30-19(12-17-6-3-2-4-7-17)24(36)28-10-9-22(34)31-20(13-18-14-27-15-29-18)25(37)32-11-5-8-21(32)23(26)35/h2-4,6-7,14-15,19-21H,5,8-13H2,1H3,(H2,26,35)(H,27,29)(H,28,36)(H,30,33)(H,31,34)/t19-,20+,21-/m1/s1
InChIKeyTWTOZIQRBNKDTO-QHAWAJNXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ac-D-Phe-βAla-L-His-D-Pro-NH2 (CHEBI:73010) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N-acetyl-D-phenylalanyl-β-alanyl-L-histidyl-D-prolinamide
Synonyms  Source
Ac-fβHp-NH2ChEBI
N-ACETYL-D-PHE-B-ALA-L-HIS-D-PRO-NH2PDB
Manual XrefsDatabases
1MCDPDB
Citations