1.0 2020-03-03 19:42:46 UTC 2020-04-22 15:57:18 UTC BMDB0064134 BMDB64134 Valylcysteine L-Val-L-cys L-Valyl-L-cysteine N-L-Valyl-L-cysteine N-Valylcysteine V-C Dipeptide VC Dipeptide Val-cys Valine cysteine dipeptide Valine-cysteine dipeptide Valyl-cysteine Valylcysteine C8H16N2O3S 220.29 220.088163557 (2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanoic acid (2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanoic acid 160070-15-5 CC(C)[C@H](N)C(=O)N[C@@H](CS)C(O)=O InChI=1S/C8H16N2O3S/c1-4(2)6(9)7(11)10-5(3-14)8(12)13/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1 WPSXZFTVLIAPCN-WDSKDSINSA-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 Alkylthiols Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Secondary carboxylic acid amides Valine and derivatives Aliphatic acyclic compound Alkylthiol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Fatty acyl Fatty amide 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 Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Valine or derivatives Aliphatic acyclic compounds logp -1.86 ALOGPS logs -1.80 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 3.8 ChemAxon pka_strongest_basic 8.5 ChemAxon iupac (2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanoic acid ChemAxon average_mass 220.29 ChemAxon mono_mass 220.088163557 ChemAxon smiles CC(C)[C@H](N)C(=O)N[C@@H](CS)C(O)=O ChemAxon formula C8H16N2O3S ChemAxon inchi InChI=1S/C8H16N2O3S/c1-4(2)6(9)7(11)10-5(3-14)8(12)13/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1 ChemAxon inchikey WPSXZFTVLIAPCN-WDSKDSINSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 54.52 ChemAxon polarizability 22.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 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 147966 Specdb::MsMs 3055256 Specdb::MsMs 3055257 Specdb::MsMs 3055258 Specdb::MsMs 3111698 Specdb::MsMs 3111699 Specdb::MsMs 3111700 Specdb::NmrOneD 108078 Specdb::NmrOneD 108079 Specdb::NmrOneD 108080 Specdb::NmrOneD 108081 Specdb::NmrOneD 108082 Specdb::NmrOneD 108083 Specdb::NmrOneD 108084 Specdb::NmrOneD 108085 Specdb::NmrOneD 108086 Specdb::NmrOneD 108087 Specdb::NmrOneD 108088 Specdb::NmrOneD 108089 Specdb::NmrOneD 108090 Specdb::NmrOneD 108091 Specdb::NmrOneD 108092 Specdb::NmrOneD 108093 Specdb::NmrOneD 108094 Specdb::NmrOneD 108095 Specdb::NmrOneD 108096 Specdb::NmrOneD 108097 FDB112126 8596449 10421020 157905