Hypoglycine B
PubChem CID: 441445
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| Compound Synonyms | L-gamma-Glutamyl-L-hypoglycin, Hypoglycine B, Hypoglycin B, C08280, 502-37-4, AC1L9B6P, CHEBI:6332, SCHEMBL14332395, NS00003192, Hypoglicin B (L-gamma-Glutamyl-L-Hypoglycine A), Q5959638, (2S)-2-amino-5-[[(1S)-1-carboxy-2-[(1S)-2-methylenecyclopropyl]ethyl]amino]-5-oxo-pentanoic acid |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-2-amino-5-[[(1S)-1-carboxy-2-[(1S)-2-methylidenecyclopropyl]ethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.2 |
| Molecular Formula | C12H18N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYDZYCPIQSRXKU-CIUDSAMLSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -1.139 |
| Rotatable Bond Count | 8.0 |
| Logd | -0.525 |
| Compound Name | Hypoglycine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.122 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7069330000000005 |
| Inchi | InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-,9-/m0/s1 |
| Smiles | C=C1C[C@H]1C[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 Blighia Sapida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all