1.0 2016-09-30 23:06:03 UTC 2020-04-22 15:12:44 UTC BMDB0003764 BMDB03764 Glutamylalanine alpha-Glu-ala alpha-Glutamylalanine EA L-alpha-Glu-L-ala L-Glu-L-ala N-L-alpha-Glutamyl-L-alanine a-Glu-ala Α-glu-ala a-Glutamylalanine Α-glutamylalanine L-a-Glu-L-ala L-Α-glu-L-ala N-L-a-Glutamyl-L-alanine N-L-Α-glutamyl-L-alanine a-L-Glutamyl-L-alanine alpha-L-Glutamyl-L-alanine Glu-ala L-alpha-Glutamyl-L-amino acid L-Glutamyl-L-alanine Α-L-glu-L-ala Α-L-glutamyl-L-alanine L-Α-glutamyl-L-alanine N-Α-glutamylalanine N-Α-L-glutamyl-L-alanine N-L-Α-glutamylalanine alpha-L-Glu-L-ala L-alpha-Glutamyl-L-alanine N-alpha-Glutamylalanine N-alpha-L-Glutamyl-L-alanine N-L-alpha-Glutamylalanine 4-Amino-N-(1-carboxyethyl)-glutaramic acid NSC 334200 N-Glutamylalanine N-L-Glutamyl-L-alanine Glutamyl-alanine Glutamic acid alanine dipeptide Glutamate alanine dipeptide Glutamic acid-alanine dipeptide Glutamate-alanine dipeptide e-a Dipeptide EA dipeptide Glutamylalanine C8H14N2O5 218.209 218.090271559 (4S)-4-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid glutamylalanine 21064-18-6 C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 JZDHUJAFXGNDSB-WHFBIAKZSA-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 Alanine and derivatives Alpha amino acid amides Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid 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 dipeptide Solid logp -3.36 ALOGPS logs -1.23 ALOGPS logp -4 ChemAxon pka_strongest_acidic 3.27 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (4S)-4-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid ChemAxon average_mass 218.209 ChemAxon mono_mass 218.090271559 ChemAxon smiles C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O ChemAxon formula C8H14N2O5 ChemAxon inchi InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)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 JZDHUJAFXGNDSB-WHFBIAKZSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 48.59 ChemAxon polarizability 20.64 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 164932 Specdb::MsMs 1218421 Specdb::MsMs 1218422 Specdb::MsMs 1218423 Specdb::MsMs 2408950 Specdb::MsMs 2408951 Specdb::MsMs 2408952 Specdb::MsMs 2553031 Specdb::MsMs 2553032 Specdb::MsMs 2553033 Specdb::NmrOneD 34682 Specdb::NmrOneD 34683 Specdb::NmrOneD 34684 Specdb::NmrOneD 34685 Specdb::NmrOneD 34686 Specdb::NmrOneD 34687 Specdb::NmrOneD 34688 Specdb::NmrOneD 34689 Specdb::NmrOneD 34690 Specdb::NmrOneD 34691 Specdb::NmrOneD 34692 Specdb::NmrOneD 34693 Specdb::NmrOneD 34694 Specdb::NmrOneD 34695 Specdb::NmrOneD 34696 Specdb::NmrOneD 34697 Specdb::NmrOneD 34698 Specdb::NmrOneD 34699 Specdb::NmrOneD 34700 Specdb::NmrOneD 34701 FDB018687 5360636 6992506 73849 Sachs, Howard; Brand, Erwin. Optical rotation of peptides. VIII. Glutamic acid tripeptides. Journal of the American Chemical Society (1954), 76 1811-14.