Ac-Gln-D-Phe-His-D-Pro-betaAla (CHEBI:73013)

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CHEBI:73013 - Ac-Gln-D-Phe-His-D-Pro-βAla

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ChEBI ID	CHEBI:73013
ChEBI Name	Ac-Gln-D-Phe-His-D-Pro-βAla
Stars
ASCII Name	Ac-Gln-D-Phe-His-D-Pro-betaAla
Definition	A pentapeptide comprising N²-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and β-alanine residues coupled in sequence.
Last Modified	26 March 2013
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C30H40N8O8
Net Charge	0
Average Mass	640.698
Monoisotopic Mass	640.29691
SMILES	CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)O
InChI	InChI=1S/C30H40N8O8/c1-18(39)35-21(9-10-25(31)40)27(43)36-22(14-19-6-3-2-4-7-19)28(44)37-23(15-20-16-32-17-34-20)30(46)38-13-5-8-24(38)29(45)33-12-11-26(41)42/h2-4,6-7,16-17,21-24H,5,8-15H2,1H3,(H2,31,40)(H,32,34)(H,33,45)(H,35,39)(H,36,43)(H,37,44)(H,41,42)/t21-,22+,23-,24+/m0/s1
InChIKey	KLKHWFRYTZAAFL-UARRHKHWSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Ac-Gln-D-Phe-His-D-Pro-βAla (CHEBI:73013) is a pentapeptide (CHEBI:48545)

IUPAC Name
N²-acetyl-L-glutaminyl-D-phenylalanyl-L-histidyl-D-prolyl-β-alanine

Synonyms	Source
N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-OH	PDB
Ac-QfHpβ-OH	ChEBI

Manual Xrefs	Databases
1MCE	PDB

Citations