1.0 2016-10-03 18:13:55 UTC 2020-04-22 15:43:02 UTC BMDB0011164 BMDB11164 L-beta-aspartyl-L-glutamic acid L-b-Aspartyl-L-glutamate L-b-Aspartyl-L-glutamic acid L-beta-Aspartyl-L-glutamate L-Β-aspartyl-L-glutamate L-Β-aspartyl-L-glutamic acid 2-[(3-Amino-3-carboxy-1-hydroxypropylidene)amino]pentanedioate C9H14N2O7 262.2167 262.080100812 2-(3-amino-3-carboxypropanamido)pentanedioic acid 2-(3-amino-3-carboxypropanamido)pentanedioic acid NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18) DBMVITQDGVMXEY-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 Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tricarboxylic acids and 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 Fatty acyl Fatty amide Glutamic acid or derivatives 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 Tricarboxylic acid or derivatives Aliphatic acyclic compounds Solid logp -3.26 ALOGPS logs -1.47 ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 1.59 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(3-amino-3-carboxypropanamido)pentanedioic acid ChemAxon average_mass 262.2167 ChemAxon mono_mass 262.080100812 ChemAxon smiles NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O ChemAxon formula C9H14N2O7 ChemAxon inchi InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18) ChemAxon inchikey DBMVITQDGVMXEY-UHFFFAOYSA-N ChemAxon polar_surface_area 167.02 ChemAxon refractivity 54.62 ChemAxon polarizability 23.64 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -2 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::MsMs 13169 Specdb::MsMs 13170 Specdb::MsMs 13171 Specdb::MsMs 19841 Specdb::MsMs 19842 Specdb::MsMs 19843 Specdb::MsMs 2715304 Specdb::MsMs 2715305 Specdb::MsMs 2715306 Specdb::MsMs 2966193 Specdb::MsMs 2966194 Specdb::MsMs 2966195 Specdb::CMs 22827 Specdb::CMs 39574 Specdb::CMs 146495 Specdb::NmrOneD 92952 Specdb::NmrOneD 92953 Specdb::NmrOneD 92954 Specdb::NmrOneD 92955 Specdb::NmrOneD 92956 Specdb::NmrOneD 92957 Specdb::NmrOneD 92958 Specdb::NmrOneD 92959 Specdb::NmrOneD 92960 Specdb::NmrOneD 92961 Specdb::NmrOneD 92962 Specdb::NmrOneD 92963 Specdb::NmrOneD 92964 Specdb::NmrOneD 92965 Specdb::NmrOneD 92966 Specdb::NmrOneD 92967 Specdb::NmrOneD 92968 Specdb::NmrOneD 92969 Specdb::NmrOneD 92970 Specdb::NmrOneD 92971 FDB027938 25207301 35032070