N5-((R)-1-Carboxy-3-(methylthio)propyl)-L-glutamine
PubChem CID: 87315837
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL1956540, N5-((R)-1-Carboxy-3-(methylthio)propyl)-L-glutamine |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | RQNSKRXMANOPQY-NKWVEPMBSA-N |
| Fcsp3 | 0.7 |
| Rotatable Bond Count | 9.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | N5-((R)-1-Carboxy-3-(methylthio)propyl)-L-glutamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.094 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 278.33 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1R)-1-carboxy-3-methylsulfanylpropyl]amino]-5-oxopentanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | 0.6600540000000001 |
| Inchi | InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7+/m0/s1 |
| Smiles | CSCC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| Xlogp | -3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18N2O5S |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients