1.0 2020-03-03 19:42:50 UTC 2020-04-22 15:57:18 UTC BMDB0064135 BMDB64135 Valylglutamine L-Val-L-GLN Valyl-glutamine VQ L-Valyl-L-glutamine N2-L-Valyl-L-glutamine N2-Valylglutamine V-Q Dipeptide VQ Dipeptide Val-GLN Valine glutamine dipeptide Valine-glutamine dipeptide Valylglutamine C10H19N3O4 245.279 245.137556104 (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanoic acid (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanoic acid 42854-54-6 CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1 XXDVDTMEVBYRPK-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 Branched fatty acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-glutamines Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary carboxylic acid amides 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 Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acyl-l-glutamine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Valine or derivatives Aliphatic acyclic compounds dipeptide logp -2.94 ALOGPS logs -1.52 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 3.72 ChemAxon pka_strongest_basic 8.51 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanoic acid ChemAxon average_mass 245.279 ChemAxon mono_mass 245.137556104 ChemAxon smiles CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O ChemAxon formula C10H19N3O4 ChemAxon inchi InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1 ChemAxon inchikey XXDVDTMEVBYRPK-XPUUQOCRSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 59.4 ChemAxon polarizability 24.85 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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 147998 Specdb::MsMs 2371477 Specdb::MsMs 2371478 Specdb::MsMs 2371479 Specdb::MsMs 2564244 Specdb::MsMs 2564245 Specdb::MsMs 2564246 Specdb::NmrOneD 108098 Specdb::NmrOneD 108099 Specdb::NmrOneD 108100 Specdb::NmrOneD 108101 Specdb::NmrOneD 108102 Specdb::NmrOneD 108103 Specdb::NmrOneD 108104 Specdb::NmrOneD 108105 Specdb::NmrOneD 108106 Specdb::NmrOneD 108107 Specdb::NmrOneD 108108 Specdb::NmrOneD 108109 Specdb::NmrOneD 108110 Specdb::NmrOneD 108111 Specdb::NmrOneD 108112 Specdb::NmrOneD 108113 Specdb::NmrOneD 108114 Specdb::NmrOneD 108115 Specdb::NmrOneD 108116 Specdb::NmrOneD 108117 FDB112127 5379066 7016044 75010