1.0 2010-04-08 22:07:32 UTC 2025-11-18 23:04:31 UTC FDB007303 Hydrolase Hydrolase is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Hydrolase is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hydrolase can be found in cocoa bean, which makes hydrolase a potential biomarker for the consumption of this food product. In biochemistry, a hydrolase is an enzyme that catalyzes the hydrolysis of a chemical bond. For example, an enzyme that catalyzes the following reaction is a hydrolase: A–B + H2O → A–OH + B–H . C31H38N4O7S 610.721 610.24612028 3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid 3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid CC(NC(=O)CCC(O)=O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)SCC1=CC=CC=C1 InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38) TWURVFFNODFJBJ-UHFFFAOYSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Alanine and derivatives Alpha amino acid amides Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carbothioic S-esters Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids and derivatives N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylalanine and derivatives Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Sulfenyl compounds Tertiary carboxylic acid amides Thioesters Alanine or derivatives Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-acylpyrrolidine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenylalanine or derivatives Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Sulfenyl compound Tertiary carboxylic acid amide Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 2.23 ALOGPS logs -4.83 ALOGPS solubility 9.14e-03 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid ChemAxon average_mass 610.721 ChemAxon mono_mass 610.24612028 ChemAxon smiles CC(NC(=O)CCC(O)=O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)SCC1=CC=CC=C1 ChemAxon formula C31H38N4O7S ChemAxon inchi InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38) ChemAxon inchikey TWURVFFNODFJBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 161.98 ChemAxon refractivity 160.76 ChemAxon polarizability 63.35 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 984119 Specdb::CMs 984120 Specdb::CMs 984121 Specdb::CMs 984122 Specdb::CMs 984123 Specdb::CMs 984124 Specdb::CMs 984125 Specdb::CMs 984126 Specdb::MsMs 100920 Specdb::MsMs 100921 Specdb::MsMs 100922 Specdb::MsMs 166386 Specdb::MsMs 166387 Specdb::MsMs 166388 52424 Cocoa bean Type 1 specific Theobroma cacao 3641