1.0 2016-10-03 18:13:52 UTC 2020-04-22 15:43:01 UTC BMDB0011162 BMDB11162 L-beta-aspartyl-L-alanine L-b-Aspartyl-L-alanine L-Β-aspartyl-L-alanine 2-Amino-3-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]propanoate C7H12N2O5 204.1806 204.074621504 2-amino-3-[(1-carboxyethyl)carbamoyl]propanoic acid 2-amino-3-[(1-carboxyethyl)carbamoyl]propanoic acid CC(NC(=O)CC(N)C(O)=O)C(O)=O InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14) ARSVRKCVNFIICJ-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 Alanine and derivatives 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 Alanine or derivatives 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 -3.42 ALOGPS logs -1.11 ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 1.82 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-amino-3-[(1-carboxyethyl)carbamoyl]propanoic acid ChemAxon average_mass 204.1806 ChemAxon mono_mass 204.074621504 ChemAxon smiles CC(NC(=O)CC(N)C(O)=O)C(O)=O ChemAxon formula C7H12N2O5 ChemAxon inchi InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14) ChemAxon inchikey ARSVRKCVNFIICJ-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 43.83 ChemAxon polarizability 18.6 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::CMs 15173 Specdb::CMs 39572 Specdb::CMs 136733 Specdb::CMs 144467 Specdb::NmrOneD 92912 Specdb::NmrOneD 92913 Specdb::NmrOneD 92914 Specdb::NmrOneD 92915 Specdb::NmrOneD 92916 Specdb::NmrOneD 92917 Specdb::NmrOneD 92918 Specdb::NmrOneD 92919 Specdb::NmrOneD 92920 Specdb::NmrOneD 92921 Specdb::NmrOneD 92922 Specdb::NmrOneD 92923 Specdb::NmrOneD 92924 Specdb::NmrOneD 92925 Specdb::NmrOneD 92926 Specdb::NmrOneD 92927 Specdb::NmrOneD 92928 Specdb::NmrOneD 92929 Specdb::NmrOneD 92930 Specdb::NmrOneD 92931 Specdb::MsMs 299644 Specdb::MsMs 299645 Specdb::MsMs 299646 Specdb::MsMs 341710 Specdb::MsMs 341711 Specdb::MsMs 341712 Specdb::MsMs 2457533 Specdb::MsMs 2457534 Specdb::MsMs 2457535 Specdb::MsMs 2481946 Specdb::MsMs 2481947 Specdb::MsMs 2481948 20129866 14284576 FDB027936