1.0 2020-03-03 19:43:18 UTC 2020-04-22 15:57:21 UTC BMDB0064143 BMDB64143 Valylmethionine L-Val-L-met Valyl-methionine VM L-Valyl-L-methionine N-L-Valyl-L-methionine N-Valylmethionine V-m Dipeptide VM Dipeptide Val-met Valine methionine dipeptide Valine-methionine dipeptide Valylmethionine C10H20N2O3S 248.34 248.119463686 (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid 14486-09-0 CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 YSGSDAIMSCVPHG-YUMQZZPRSA-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 Dialkylthioethers Hydrocarbon derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Thia fatty acids 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 Dialkylthioether Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Methionine or derivatives 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 Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thia fatty acid Thioether Valine or derivatives Aliphatic acyclic compounds dipeptide logp -0.93 ALOGPS logs -1.94 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic 8.51 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 248.34 ChemAxon mono_mass 248.119463686 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O ChemAxon formula C10H20N2O3S ChemAxon inchi InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 ChemAxon inchikey YSGSDAIMSCVPHG-YUMQZZPRSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 63.88 ChemAxon polarizability 26.4 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 147138 Specdb::MsMs 2450209 Specdb::MsMs 2450210 Specdb::MsMs 2450211 Specdb::MsMs 2488062 Specdb::MsMs 2488063 Specdb::MsMs 2488064 Specdb::NmrOneD 108218 Specdb::NmrOneD 108219 Specdb::NmrOneD 108220 Specdb::NmrOneD 108221 Specdb::NmrOneD 108222 Specdb::NmrOneD 108223 Specdb::NmrOneD 108224 Specdb::NmrOneD 108225 Specdb::NmrOneD 108226 Specdb::NmrOneD 108227 Specdb::NmrOneD 108228 Specdb::NmrOneD 108229 Specdb::NmrOneD 108230 Specdb::NmrOneD 108231 Specdb::NmrOneD 108232 Specdb::NmrOneD 108233 Specdb::NmrOneD 108234 Specdb::NmrOneD 108235 Specdb::NmrOneD 108236 Specdb::NmrOneD 108237 FDB112135 5361146 6993038 75015