Ac-Gln-D-Phe-His-D-Pro-betaAla-betaAla (CHEBI:73014)

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CHEBI:73014 - Ac-Gln-D-Phe-His-D-Pro-βAla-βAla

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ChEBI ID	CHEBI:73014
ChEBI Name	Ac-Gln-D-Phe-His-D-Pro-βAla-βAla
Stars
ASCII Name	Ac-Gln-D-Phe-His-D-Pro-betaAla-betaAla
Definition	An oligopeptide comprising N²-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and two β-alanine residues coupled in sequence.
Last Modified	26 March 2013
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C33H45N9O9
Net Charge	0
Average Mass	711.777
Monoisotopic Mass	711.33402
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)NCCC(=O)O
InChI	InChI=1S/C33H45N9O9/c1-20(43)39-23(9-10-27(34)44)30(48)40-24(16-21-6-3-2-4-7-21)31(49)41-25(17-22-18-35-19-38-22)33(51)42-15-5-8-26(42)32(50)37-13-11-28(45)36-14-12-29(46)47/h2-4,6-7,18-19,23-26H,5,8-17H2,1H3,(H2,34,44)(H,35,38)(H,36,45)(H,37,50)(H,39,43)(H,40,48)(H,41,49)(H,46,47)/t23-,24+,25-,26+/m0/s1
InChIKey	SMPKUSOIDAPUBS-ROXDYWFKSA-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-βAla (CHEBI:73014) is a oligopeptide (CHEBI:25676)

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

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

Manual Xrefs	Databases
1MCF	PDB
1MCH	PDB

Citations