1.0 2020-03-03 19:33:42 UTC 2020-04-22 15:56:20 UTC BMDB0063980 BMDB63980 Lysylglutamine K-Q KQ L-Lys-L-GLN Poly(lys-glu) Poly(lysyl-L-glutamine) Poly(lysly-glutamine) K-Q Dipeptide KQ Dipeptide L-Lysyl-L-glutamine Lys-GLN Lysine glutamine dipeptide Lysine-glutamine dipeptide Lysyl-glutamine N2-L-Lysyl-L-glutamine N2-Lysylglutamine Lysylglutamine C11H22N4O4 274.321 274.164105204 (2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid (2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid 92352-82-4 NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1 OAPNERBWQWUPTI-YUMQZZPRSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-glutamines Organic oxides Organopnictogen compounds Primary carboxylic acid amides Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acyl-l-glutamine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide logp -3.43 ALOGPS logs -1.90 ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 3.57 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac (2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid ChemAxon average_mass 274.321 ChemAxon mono_mass 274.164105204 ChemAxon smiles NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O ChemAxon formula C11H22N4O4 ChemAxon inchi InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1 ChemAxon inchikey OAPNERBWQWUPTI-YUMQZZPRSA-N ChemAxon polar_surface_area 161.53 ChemAxon refractivity 67.72 ChemAxon polarizability 28.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 153524 Specdb::MsMs 2778443 Specdb::MsMs 2778444 Specdb::MsMs 2778445 Specdb::MsMs 2903538 Specdb::MsMs 2903539 Specdb::MsMs 2903540 Specdb::NmrOneD 14262 Specdb::NmrOneD 14263 Specdb::NmrOneD 14264 Specdb::NmrOneD 14265 Specdb::NmrOneD 14266 Specdb::NmrOneD 14267 Specdb::NmrOneD 14268 Specdb::NmrOneD 14269 Specdb::NmrOneD 14270 Specdb::NmrOneD 14271 Specdb::NmrOneD 14272 Specdb::NmrOneD 14273 Specdb::NmrOneD 14274 Specdb::NmrOneD 14275 Specdb::NmrOneD 14276 Specdb::NmrOneD 14277 Specdb::NmrOneD 14278 Specdb::NmrOneD 14279 Specdb::NmrOneD 14280 Specdb::NmrOneD 14281 FDB111972 170097 196305 73600