CHEBI:63122 - N¹,N⁵-bis(2-deoxy-β-D-glucopyranos-2-yl)-N²-(N³-DNCP-β-alanyl)glutaminamide

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ChEBI Name N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutaminamide ChEBI ID CHEBI:63122 ChEBI ASCII Name N(1),N(5)-bis(2-deoxy-beta-D-glucopyranos-2-yl)-N(2)-(N(3)-DNCP-beta-alanyl)glutaminamide Definition A dipeptide that consists of β-alanyl-L-glutamine amide bearing a 2-carboxy-4,6-dinitrophenyl (DNCP) substituent at the amino terminus while the amides at the carboxy terminus and side-chain are substituted by β-D-glucopyranos-2-yl groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H38N6O19 Net Charge 0 Average Mass 750.61940 Monoisotopic Mass 750.21917 InChI InChI=1S/C27H38N6O19/c34-7-13-20(38)22(40)18(26(45)51-13)30-15(36)2-1-11(24(42)31-19-23(41)21(39)14(8-35)52-27(19)46)29-16(37)3-4-28-17-10(25(43)44)5-9(32(47)48)6-12(17)33(49)50/h5-6,11,13-14,18-23,26-28,34-35,38-41,45-46H,1-4,7-8H2,(H,29,37)(H,30,36)(H,31,42)(H,43,44)/t11-,13+,14+,18+,19+,20+,21+,22+,23+,26+,27+/m0/s1 InChIKey SKJPKOQOQCNXNU-KKDOHVHWSA-N SMILES OC[C@H]1O[C@@H](O)[C@H](NC(=O)CC[C@H](NC(=O)CCNc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutaminamide (CHEBI:63122) is a C-nitro compound (CHEBI:35716) N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutaminamide (CHEBI:63122) is a N-acyl-β-D-glucosamine (CHEBI:63121) N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutaminamide (CHEBI:63122) is a benzoic acids (CHEBI:22723) N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutaminamide (CHEBI:63122) is a dipeptide (CHEBI:46761) Synonyms Sources 2-{[N-(1,5-bis(2-deoxy-β-D-glucopyranos-2-ylamino)-1,5-dioxopentan-2-yl)amino]carbonylethylamino}-3,5-dinitrobenzoic acid ChEBI N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)-L-glutaminamide ChEBI N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)-L-glutamine amide ChEBI N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-(N3-DNCP-β-alanyl)glutamine amide ChEBI N1,N5-bis(2-deoxy-β-D-glucopyranos-2-yl)-N2-[N3-(2-carboxy-4,6-dinitrophenyl)-β-alanyl]-L-glutaminamide ChEBI Registry Number Type Source 6560814 Reaxys Registry Number Reaxys Citation Type Source 4093152 PubMed citation Europe PMC Last Modified 27 October 2011