1.0 2016-10-03 18:13:56 UTC 2020-04-22 15:43:02 UTC BMDB0011165 BMDB11165 L-beta-aspartyl-L-glycine L-beta-Aspartyl-L-glycine , also known as L-Β-aspartyl-L-glycine, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. L-beta-Aspartyl-L-glycine is possibly soluble (in water) and a very strong basic compound (based on its pKa). L-b-Aspartyl-L-glycine L-Β-aspartyl-L-glycine beta-Aspartylglycine, (D-beta)-isomer beta-Aspartylglycine 2-Amino-3-[(carboxymethyl)-C-hydroxycarbonimidoyl]propanoate beta-Asp-gly C6H10N2O5 190.154 190.05897144 2-amino-3-[(carboxymethyl)carbamoyl]propanoic acid 2-amino-3-(carboxymethylcarbamoyl)propanoic acid NC(CC(=O)NCC(O)=O)C(O)=O InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13) ZTEDWFWBGPKUOD-UHFFFAOYSA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Hybrid peptides Alpha amino acids Amino acids Asparagine and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Asparagine or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp -3.51 ALOGPS logs -0.85 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 1.7 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-amino-3-[(carboxymethyl)carbamoyl]propanoic acid ChemAxon average_mass 190.154 ChemAxon mono_mass 190.05897144 ChemAxon smiles NC(CC(=O)NCC(O)=O)C(O)=O ChemAxon formula C6H10N2O5 ChemAxon inchi InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13) ChemAxon inchikey ZTEDWFWBGPKUOD-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 39.34 ChemAxon polarizability 16.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 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::MsIr 2504 Specdb::MsIr 2505 Specdb::MsIr 2506 Specdb::MsMs 301768 Specdb::MsMs 301769 Specdb::MsMs 301770 Specdb::MsMs 344323 Specdb::MsMs 344324 Specdb::MsMs 344325 Specdb::MsMs 2464086 Specdb::MsMs 2464087 Specdb::MsMs 2464088 Specdb::MsMs 2502062 Specdb::MsMs 2502063 Specdb::MsMs 2502064 Specdb::NmrOneD 92972 Specdb::NmrOneD 92973 Specdb::NmrOneD 92974 Specdb::NmrOneD 92975 Specdb::NmrOneD 92976 Specdb::NmrOneD 92977 Specdb::NmrOneD 92978 Specdb::NmrOneD 92979 Specdb::NmrOneD 92980 Specdb::NmrOneD 92981 Specdb::NmrOneD 92982 Specdb::NmrOneD 92983 Specdb::NmrOneD 92984 Specdb::NmrOneD 92985 Specdb::NmrOneD 92986 Specdb::NmrOneD 92987 Specdb::NmrOneD 92988 Specdb::NmrOneD 92989 Specdb::NmrOneD 92990 Specdb::NmrOneD 92991 Specdb::CMs 16128 Specdb::CMs 39575 Specdb::CMs 129203 Specdb::CMs 174178 Specdb::CMs 853301 Specdb::CMs 853302 Specdb::CMs 853303 Specdb::CMs 853304 Specdb::CMs 853305 Specdb::CMs 853306 Specdb::CMs 853307 Specdb::CMs 853308 Specdb::CMs 853309 Specdb::CMs 853310 Specdb::CMs 853311 Specdb::CMs 853312 Specdb::CMs 853313 Specdb::CMs 853314 Specdb::CMs 853315 Specdb::CMs 853316 Specdb::CMs 853317 Specdb::CMs 853318 Specdb::CMs 853319 Specdb::CMs 853320 Specdb::CMs 853321 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 267284 302430 FDB027939 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