1.0 2020-03-03 19:28:00 UTC 2020-04-22 15:55:42 UTC BMDB0063881 BMDB63881 Glutamylvaline alpha-Glu-val Glutamyl-valine L-alpha-Glu-L-val L-Glu-L-val L-Glutamyl-L-valine a-Glu-val Α-glu-val L-a-Glu-L-val L-Α-glu-L-val Α-L-glu-L-val Α-glutamylvaline Α-L-glutamyl-L-valine L-Α-glutamyl-L-valine N-Α-glutamylvaline N-Α-L-glutamyl-L-valine N-L-Α-glutamylvaline N-L-Α-glutamyl-L-valine alpha-L-Glu-L-val alpha-Glutamylvaline alpha-L-Glutamyl-L-valine L-alpha-Glutamyl-L-valine N-alpha-Glutamylvaline N-alpha-L-Glutamyl-L-valine N-L-alpha-Glutamylvaline N-L-alpha-Glutamyl-L-valine NSC 334345 Glu-val N-Glutamylvaline N-L-Glutamyl-L-valine Glutamic acid valine dipeptide Glutamate valine dipeptide Glutamic acid-valine dipeptide Glutamate-valine dipeptide e-V Dipeptide EV dipeptide Glutamylvaline C10H18N2O5 246.2603 246.121571696 (4S)-4-amino-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid (4S)-4-amino-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid 5879-06-1 CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 SITLTJHOQZFJGG-XPUUQOCRSA-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 Alpha amino acid amides Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Hydrocarbon derivatives Methyl-branched fatty acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Valine and 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 Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative Methyl-branched fatty acid 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 Valine or derivatives Aliphatic acyclic compounds glutamyl-L-amino acid logp -2.95 ALOGPS logs -1.39 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (4S)-4-amino-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid ChemAxon average_mass 246.2603 ChemAxon mono_mass 246.121571696 ChemAxon smiles CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O ChemAxon formula C10H18N2O5 ChemAxon inchi InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 ChemAxon inchikey SITLTJHOQZFJGG-XPUUQOCRSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 57.58 ChemAxon polarizability 24.68 ChemAxon rotatable_bond_count 7 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 36488 Specdb::CMs 47861 Specdb::CMs 169311 Specdb::MsMs 913372 Specdb::MsMs 913373 Specdb::MsMs 913374 Specdb::MsMs 961366 Specdb::MsMs 961367 Specdb::MsMs 961368 Specdb::MsMs 3223576 Specdb::MsMs 3223577 Specdb::MsMs 3223578 Specdb::MsMs 3224524 Specdb::MsMs 3224525 Specdb::MsMs 3224526 Specdb::NmrOneD 105598 Specdb::NmrOneD 105599 Specdb::NmrOneD 105600 Specdb::NmrOneD 105601 Specdb::NmrOneD 105602 Specdb::NmrOneD 105603 Specdb::NmrOneD 105604 Specdb::NmrOneD 105605 Specdb::NmrOneD 105606 Specdb::NmrOneD 105607 Specdb::NmrOneD 105608 Specdb::NmrOneD 105609 Specdb::NmrOneD 105610 Specdb::NmrOneD 105611 Specdb::NmrOneD 105612 Specdb::NmrOneD 105613 Specdb::NmrOneD 105614 Specdb::NmrOneD 105615 Specdb::NmrOneD 105616 Specdb::NmrOneD 105617 FDB111873 5360697 6992567 68846