1.0 2020-03-03 19:26:57 UTC 2020-04-22 15:55:35 UTC BMDB0063863 BMDB63863 Glutaminylvaline N-L-Glutaminyl-L-valine (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-methylbutanoic acid (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-methylbutanoic acid Glutamine valine dipeptide Glutaminyl-valine L-GLN-L-Val N-Glutaminylvaline Q-V Q-V Dipeptide QV QV Dipeptide (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-methylbutanoate (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-methylbutanoate GLN-Val L-Glutaminyl-L-valine Glutamine-valine dipeptide (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-methylbutanoate Glutaminylvaline C10H19N3O4 245.279 245.137556104 (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylbutanoic acid (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylbutanoic acid 31189-73-8 CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1 MRVYVEQPNDSWLH-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 Carbonyl compounds Carboxylic acids Glutamine and derivatives Hydrocarbon derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides 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 Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Methyl-branched fatty acid 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 Organic nitrogen compound Organic oxide Organic oxygen compound 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 logp -2.92 ALOGPS logs -1.51 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 3.71 ChemAxon pka_strongest_basic 8.23 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylbutanoic acid ChemAxon average_mass 245.279 ChemAxon mono_mass 245.137556104 ChemAxon smiles CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O ChemAxon formula C10H19N3O4 ChemAxon inchi InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1 ChemAxon inchikey MRVYVEQPNDSWLH-XPUUQOCRSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 59.4 ChemAxon polarizability 25.05 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 137786 Specdb::CMs 145520 Specdb::MsMs 1254511 Specdb::MsMs 1254512 Specdb::MsMs 1254513 Specdb::MsMs 1369714 Specdb::MsMs 1369715 Specdb::MsMs 1369716 Specdb::MsMs 3223480 Specdb::MsMs 3223481 Specdb::MsMs 3223482 Specdb::MsMs 3223483 Specdb::MsMs 3223484 Specdb::MsMs 3223485 Specdb::NmrOneD 155210 Specdb::NmrOneD 155211 Specdb::NmrOneD 155212 Specdb::NmrOneD 155213 Specdb::NmrOneD 155214 Specdb::NmrOneD 155215 Specdb::NmrOneD 155216 Specdb::NmrOneD 155217 Specdb::NmrOneD 155218 Specdb::NmrOneD 155219 Specdb::NmrOneD 155220 Specdb::NmrOneD 155221 Specdb::NmrOneD 155222 Specdb::NmrOneD 155223 Specdb::NmrOneD 155224 Specdb::NmrOneD 155225 Specdb::NmrOneD 155226 Specdb::NmrOneD 155227 Specdb::NmrOneD 155228 Specdb::NmrOneD 155229 FDB111856 74854306 57262456 141433