1.0 2018-07-17 17:21:28 UTC 2020-04-22 15:51:42 UTC BMDB0062234 BMDB62234 Glycyl-Arginine Glycyl-arginine, also known as g-R dipeptide or gly-arg, 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. Glycyl-arginine is possibly soluble (in water) and a very strong basic compound (based on its pKa). g-R Dipeptide Gly-arg Glycine arginine dipeptide Glycine-arginine dipeptide Glycylarginine GR Dipeptide L-Glycyl-L-arginine 2-[(2-Amino-1-hydroxyethylidene)amino]-5-carbamimidamidopentanoate C8H17N5O3 231.2523 231.133139435 2-[(2-amino-1-hydroxyethylidene)amino]-5-carbamimidamidopentanoic acid 2-[(2-amino-1-hydroxyethylidene)amino]-5-carbamimidamidopentanoic acid NCC(O)=NC(CCCNC(N)=N)C(O)=O InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12) JLXVRFDTDUGQEE-UHFFFAOYSA-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 Carboximidamides Carboxylic acids Fatty acids and conjugates Guanidines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 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 Carboximidamide Carboxylic acid Fatty acid Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aliphatic acyclic compounds logp -3.79 ALOGPS logs -2.49 ALOGPS logp -5.7 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic 12.19 ChemAxon iupac 2-[(2-amino-1-hydroxyethylidene)amino]-5-carbamimidamidopentanoic acid ChemAxon average_mass 231.2523 ChemAxon mono_mass 231.133139435 ChemAxon smiles NCC(O)=NC(CCCNC(N)=N)C(O)=O ChemAxon formula C8H17N5O3 ChemAxon inchi InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12) ChemAxon inchikey JLXVRFDTDUGQEE-UHFFFAOYSA-N ChemAxon polar_surface_area 157.81 ChemAxon refractivity 67.25 ChemAxon polarizability 23.27 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 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 21746 Specdb::CMs 40898 Specdb::CMs 166105 Specdb::NmrOneD 105638 Specdb::NmrOneD 105639 Specdb::NmrOneD 105640 Specdb::NmrOneD 105641 Specdb::NmrOneD 105642 Specdb::NmrOneD 105643 Specdb::NmrOneD 105644 Specdb::NmrOneD 105645 Specdb::NmrOneD 105646 Specdb::NmrOneD 105647 Specdb::NmrOneD 105648 Specdb::NmrOneD 105649 Specdb::NmrOneD 105650 Specdb::NmrOneD 105651 Specdb::NmrOneD 105652 Specdb::NmrOneD 105653 Specdb::NmrOneD 105654 Specdb::NmrOneD 105655 Specdb::NmrOneD 105656 Specdb::NmrOneD 105657 Specdb::MsMs 314347 Specdb::MsMs 314348 Specdb::MsMs 314349 Specdb::MsMs 360076 Specdb::MsMs 360077 Specdb::MsMs 360078 Specdb::MsMs 3223585 Specdb::MsMs 3223586 Specdb::MsMs 3223587 Specdb::MsMs 3223588 Specdb::MsMs 3223589 Specdb::MsMs 3223590 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB098200 295437 333414 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828