4-[[1-[[1-[2-[(1-Benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID: 3289209
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| Compound Synonyms | Carboxypeptidase B, 9025-24-5, 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid, RECOMBINANT CARBOXYPEPTIDASE B, TWURVFFNODFJBJ-UHFFFAOYSA-N, DTXSID801009277, G90910, Carboxypeptidase B from porcine pancreas, lyophilized powder, Carboxypeptidase B from human pancreas, 50-55 units/mg protein carboxypeptidase B, 4-({1-[(1-{2-[{[1-(Benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]imino}(hydroxy)methyl]pyrrolidin-1-yl}-1-oxopropan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-4-hydroxybutanoic acid |
|---|---|
| Topological Polar Surface Area | 187.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | TWURVFFNODFJBJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 15.0 |
| Heavy Atom Count | 43.0 |
| Compound Name | 4-[[1-[[1-[2-[(1-Benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| Description | 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 . |
| Exact Mass | 610.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 610.246 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 997.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 610.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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) |
| Smiles | CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H38N4O7S |
- 1. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all