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CHEBI:72491 - Nα,Nτ-(Dnp)2-His-Gln

ChEBI IDCHEBI:72491
ChEBI NameNα,Nτ-(Dnp)2-His-Gln
Stars
ASCII NameN(alpha),N(tele)-(Dnp)2-His-Gln
DefinitionA dipeptide consisting of L-histidine substituted on the α and τ (tele) nitrogens by 2,4-dinitrophenyl groups and connected to L-glutamine via a peptide bond.
Last Modified21 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H21N9O12
Net Charge0
Average Mass615.472
Monoisotopic Mass615.13097
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C23H21N9O12/c24-21(33)6-4-16(23(35)36)27-22(34)17(26-15-3-1-13(29(37)38)8-19(15)31(41)42)7-12-10-28(11-25-12)18-5-2-14(30(39)40)9-20(18)32(43)44/h1-3,5,8-11,16-17,26H,4,6-7H2,(H2,24,33)(H,27,34)(H,35,36)/t16-,17-/m0/s1
InChIKeySJTGULKHYWGWDC-IRXDYDNUSA-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)
Nα,Nτ-(Dnp)2-His-Gln (CHEBI:72491) has part 2,4-dinitrophenyl group (CHEBI:53018)
Nα,Nτ-(Dnp)2-His-Gln (CHEBI:72491) is a dipeptide (CHEBI:46761)
IUPAC Name 
Nα,Nτ-bis(2,4-dinitrophenyl)-L-histidyl-L-glutamine
Synonyms  Source
DNP2-HisChEBI
1,N-bis(2,4-dinitrophenyl)-L-histidyl-L-glutamineChEBI
N,1-bis(2,4-dinitrophenyl)-L-histidyl-L-glutamineChEBI
Citations