CHEBI:139249 - NBD-N(Me)-DKβA-OH

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ChEBI Name NBD-N(Me)-DKβA-OH
ChEBI ID CHEBI:139249
ChEBI ASCII Name NBD-N(Me)-DKbetaA-OH
Definition A tripeptide comprising in sequence α-aspartyl, lysyl residue and β-alanyl residues, to the nitrogen of the aspartyl residue of which are linked both a methyl group and a 7-nitro-2,1,3-benzoxadiazol-4-yl moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H27N7O9
Net Charge 0
Average Mass 509.471
Monoisotopic Mass 509.18703
InChI InChI=1S/C20H27N7O9/c1-26(12-5-6-13(27(34)35)18-17(12)24-36-25-18)14(10-16(30)31)20(33)23-11(4-2-3-8-21)19(32)22-9-7-15(28)29/h5-6,11,14H,2-4,7-10,21H2,1H3,(H,22,32)(H,23,33)(H,28,29)(H,30,31)/t11-,14-/m0/s1
InChIKey LUQOLLJUTUPKOX-FZMZJTMJSA-N
SMILES O=C(N[C@H](C(NCCC(O)=O)=O)CCCCN)[C@@H](N(C1=CC=C(C=2C1=NON2)[N+]([O-])=O)C)CC(=O)O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): peptide probe
A probe that is a small labelled and chemical active peptide which has been structurally modified for reacting with, for example, the beta-lactam moieties of various penicillin-type compounds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing NBD-N(Me)-DKβA-OH (CHEBI:139249) has role peptide probe (CHEBI:139246)
NBD-N(Me)-DKβA-OH (CHEBI:139249) is a tripeptide (CHEBI:47923)
IUPAC Name
N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-α-aspartyl-L-lysyl-β-alanine
Synonym Source
N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-Asp-Lys-βAla-OH ChEBI
Citation Waiting for Citations Type Source
28987997 PubMed citation Europe PMC
Last Modified
08 December 2017