L-Alanine, L-gamma-glutamyl-3-(5-oxo-2(5H)-isoxazolyl)-
PubChem CID: 15167929
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| Compound Synonyms | 142115-24-0, DTXSID801223481, L-Alanine, L-gamma-glutamyl-3-(5-oxo-2(5H)-isoxazolyl)-, L-Alanine, L-I(3)-glutamyl-3-(5-oxo-2(5H)-isoxazolyl)- |
|---|---|
| Topological Polar Surface Area | 159.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1S)-1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.9 |
| Molecular Formula | C11H15N3O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXZPYJHULCBZPT-BQBZGAKWSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.225 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.518 |
| Compound Name | L-Alanine, L-gamma-glutamyl-3-(5-oxo-2(5H)-isoxazolyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 301.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.091 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 301.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.08672852380952395 |
| Inchi | InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)/t6-,7-/m0/s1 |
| Smiles | C1=CN(OC1=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Masaikai (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nectandra Pichurim (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pityrogramma Tartarea (Plant) Rel Props:Source_db:cmaup_ingredients