1.0 2020-03-03 19:20:46 UTC 2020-04-22 15:54:54 UTC BMDB0063752 BMDB63752 Alanylglutamic acid AE Ala-glu Ala-glu-OH AlaGlu Alanine glutamate Alanylglutamate H-Ala-glu-OH L-Ala-L-glu L-Alanyl-L-glutaminsaeure Alanine glutamic acid L-Alanyl-L-glutamate a-e Dipeptide AE dipeptide Alanine glutamate dipeptide Alanine glutamic acid dipeptide Alanine-glutamate dipeptide Alanine-glutamic acid dipeptide Alanyl-glutamate Alanyl-glutamic acid L-Alanyl-L-glutamic acid N-Alanylglutamate N-Alanylglutamic acid N-L-Alanyl-L-glutamate N-L-Alanyl-L-glutamic acid Alanylglutamic acid C8H14N2O5 218.209 218.090271559 (2S)-2-[(2S)-2-aminopropanamido]pentanedioic acid Ala-Glu 13187-90-1 C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 VYZAGTDAHUIRQA-WHFBIAKZSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Glutamic acid or derivatives Hydrocarbon derivative 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 Aliphatic acyclic compounds dipeptide logp -3.43 ALOGPS logs -1.15 ALOGPS logp -4 ChemAxon pka_strongest_acidic 3.27 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]pentanedioic acid ChemAxon average_mass 218.209 ChemAxon mono_mass 218.090271559 ChemAxon smiles C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O ChemAxon formula C8H14N2O5 ChemAxon inchi InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 ChemAxon inchikey VYZAGTDAHUIRQA-WHFBIAKZSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 48.59 ChemAxon polarizability 20.44 ChemAxon rotatable_bond_count 6 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 169588 Specdb::MsMs 1328992 Specdb::MsMs 1328993 Specdb::MsMs 1328994 Specdb::MsMs 1443313 Specdb::MsMs 1443314 Specdb::MsMs 1443315 Specdb::MsMs 3222769 Specdb::MsMs 3222770 Specdb::MsMs 3222771 Specdb::MsMs 3222772 Specdb::MsMs 3222773 Specdb::MsMs 3222774 Specdb::NmrOneD 154170 Specdb::NmrOneD 154171 Specdb::NmrOneD 154172 Specdb::NmrOneD 154173 Specdb::NmrOneD 154174 Specdb::NmrOneD 154175 Specdb::NmrOneD 154176 Specdb::NmrOneD 154177 Specdb::NmrOneD 154178 Specdb::NmrOneD 154179 Specdb::NmrOneD 154180 Specdb::NmrOneD 154181 Specdb::NmrOneD 154182 Specdb::NmrOneD 154183 Specdb::NmrOneD 154184 Specdb::NmrOneD 154185 Specdb::NmrOneD 154186 Specdb::NmrOneD 154187 Specdb::NmrOneD 154188 Specdb::NmrOneD 154189 FDB111746 114174 128841 61565