1.0 2020-03-03 19:43:49 UTC 2020-04-22 15:57:24 UTC BMDB0064151 BMDB64151 Valyl-Gamma-glutamate Valyl-g-glutamate Valyl-g-glutamic acid Valyl-gamma-glutamic acid Valyl-γ-glutamate Valyl-γ-glutamic acid L-Valyl-L-gamma-glutamate V-GE dipeptide Val-gglu Valine gamma-glutamate dipeptide Valine-gamma-glutamate dipeptide Valylgamma-glutamate VGE dipeptide 2-Amino-4-[(2-amino-3-methylbutanoyl)-C-hydroxycarbonimidoyl]butanoate C10H19N3O4 245.2756 245.137556111 2-amino-4-[(2-amino-3-methylbutanoyl)carbamoyl]butanoic acid 2-amino-4-[(2-amino-3-methylbutanoyl)carbamoyl]butanoic acid CC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-7(14)4-3-6(11)10(16)17/h5-6,8H,3-4,11-12H2,1-2H3,(H,16,17)(H,13,14,15) RNVIUPLZMWAIQD-UHFFFAOYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives Alpha amino acid amides Alpha amino acids Amino acids Branched fatty acids Carbonyl compounds Carboxylic acids Dicarboximides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Valine and derivatives Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid amide Amine Amino acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Fatty acid Fatty acyl Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Valine or derivatives Aliphatic acyclic compounds logp -2.49 ALOGPS logs -1.66 ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac 2-amino-4-[(2-amino-3-methylbutanoyl)carbamoyl]butanoic acid ChemAxon average_mass 245.2756 ChemAxon mono_mass 245.137556111 ChemAxon smiles CC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O ChemAxon formula C10H19N3O4 ChemAxon inchi InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-7(14)4-3-6(11)10(16)17/h5-6,8H,3-4,11-12H2,1-2H3,(H,16,17)(H,13,14,15) ChemAxon inchikey RNVIUPLZMWAIQD-UHFFFAOYSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 59.52 ChemAxon polarizability 25.05 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 14585 Specdb::CMs 41171 Specdb::CMs 154420 Specdb::NmrOneD 108318 Specdb::NmrOneD 108319 Specdb::NmrOneD 108320 Specdb::NmrOneD 108321 Specdb::NmrOneD 108322 Specdb::NmrOneD 108323 Specdb::NmrOneD 108324 Specdb::NmrOneD 108325 Specdb::NmrOneD 108326 Specdb::NmrOneD 108327 Specdb::NmrOneD 108328 Specdb::NmrOneD 108329 Specdb::NmrOneD 108330 Specdb::NmrOneD 108331 Specdb::NmrOneD 108332 Specdb::NmrOneD 108333 Specdb::NmrOneD 108334 Specdb::NmrOneD 108335 Specdb::NmrOneD 108336 Specdb::NmrOneD 108337 Specdb::MsMs 298249 Specdb::MsMs 298250 Specdb::MsMs 298251 Specdb::MsMs 339985 Specdb::MsMs 339986 Specdb::MsMs 339987 Specdb::MsMs 3043099 Specdb::MsMs 3043100 Specdb::MsMs 3043101 Specdb::MsMs 3097849 Specdb::MsMs 3097850 Specdb::MsMs 3097851 FDB112142 35032831 131750792