N-gamma-Glutamyl-S-propylcysteine
PubChem CID: 21201348
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| Compound Synonyms | N-gamma-Glutamyl-S-propylcysteine, N-g-Glutamyl-S-propylcysteine, SCHEMBL1157964, CHEBI:169188, 2-amino-4-{[1-carboxy-2-(propylsulfanyl)ethyl]carbamoyl}butanoic acid, 2-amino-5-[(1-carboxy-2-propylsulanylethyl)amino]-5-oxopentanoic acid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides |
| Deep Smiles | CCCSCCC=O)O))NC=O)CCCC=O)O))N |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Isolated from garlic (Allium sativum) and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-propylcysteine is found in many foods, some of which are garlic, chives, soft-necked garlic, and onion-family vegetables. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-2-propylsulfanylethyl)amino]-5-oxopentanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20N2O5S |
| Inchi Key | MTFUIXBAXHURMH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | N-g-Glutamyl-S-propylcysteine, N-Γ-glutamyl-S-propylcysteine, 2-Amino-4-{[1-carboxy-2-(propylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(propylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoate, 2-Amino-4-{[1-carboxy-2-(propylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid, n-gamma-glutamyl-s-propylcysteine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O, CSC |
| Compound Name | N-gamma-Glutamyl-S-propylcysteine |
| Kingdom | Organic compounds |
| Exact Mass | 292.109 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.109 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 292.35 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18) |
| Smiles | CCCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dipeptides |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all