(2R)-2-[[(2R)-2-amino-3-prop-2-enylsulfanylpropanoyl]amino]-3-prop-2-enylsulfanylpropanoic acid
PubChem CID: 129847991
Connections displayed (default: 10).
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| Topological Polar Surface Area | 143.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[[(2R)-2-amino-3-prop-2-enylsulfanylpropanoyl]amino]-3-prop-2-enylsulfanylpropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Molecular Formula | C12H20N2O3S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHULZANLATXLRF-UWVGGRQHSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.848 |
| Rotatable Bond Count | 11.0 |
| Logd | 0.472 |
| Compound Name | (2R)-2-[[(2R)-2-amino-3-prop-2-enylsulfanylpropanoyl]amino]-3-prop-2-enylsulfanylpropanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.092 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 304.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4534093999999995 |
| Inchi | InChI=1S/C12H20N2O3S2/c1-3-5-18-7-9(13)11(15)14-10(12(16)17)8-19-6-4-2/h3-4,9-10H,1-2,5-8,13H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1 |
| Smiles | C=CCSC[C@@H](C(=O)N[C@@H](CSCC=C)C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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