gamma-GLUTAMYL-S-ALLYLCYSTEINE
PubChem CID: 11346811
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| Compound Synonyms | 91216-95-4, gamma-Glutamyl-S-allylcysteine, L-gamma-Glutamyl-(S)-Allyl-Cysteine, UNII-1O5QGM20NB, 1O5QGM20NB, gamma-Glutamyl-S-2-propenylcysteine, gamma-Glutamyl-S-prop-2-en-1-ylcysteine, Glutamine, N-(2-(allylthio)-1-carboxyethyl)-, L-, GAMMA-GLUTAMYL-, L-Cysteine, L-gamma-glutamyl-S-2-propenyl-, (2S)-2-amino-5-[[(1R)-1-carboxy-2-prop-2-enylsulfanylethyl]amino]-5-oxopentanoic acid, L-?-Glutamyl-(S)-Allyl-Cysteine, GSAC dipeptide, ??-Glutamyl-S-allylcysteine, SCHEMBL1157668, GAMMA-GLUTAMYL-(USP-RS), GAMMA-GLUTAMYL- [USP-RS], HY-N9413, AKOS040758448, .GAMMA.-GLUTAMYL-S-ALLYLCYSTEINE, MS-24142, GAMMA-GLUTAMYL-(S)-ALLYL-L-CYSTEINE, CS-0160079, GLUTAMYL-S-ALLYL-L-CYSTEINE, gamma-L-, .GAMMA.-GLUTAMYL-S-2-PROPENYLCYSTEINE, G14515, GLUTAMYL-S-ALLYL-L-CYSTEINE, .GAMMA.-L-, .GAMMA.-GLUTAMYL-S-PROP-2-EN-1-YLCYSTEINE, L-CYSTEINE, L-.GAMMA.-GLUTAMYL-S-2-PROPENYL-, N5-((R)-2-(Allylthio)-1-carboxyethyl)-L-glutamine, Q27252677, gamma-GLUTAMYL-S-ALLYL-L-CYSTEINE (CONSTITUENT OF GARLIC), .GAMMA.-GLUTAMYL-S-ALLYL-L-CYSTEINE (CONSTITUENT OF GARLIC) [DSC], (2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1R)-1-carboxy-2-prop-2-enylsulfanylethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Molecular Formula | C11H18N2O5S |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUTHBNRZCFKVQZ-YUMQZZPRSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.757 |
| Rotatable Bond Count | 10.0 |
| Logd | -0.397 |
| Compound Name | gamma-GLUTAMYL-S-ALLYLCYSTEINE |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.094 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 290.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.4751858000000003 |
| Inchi | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 |
| Smiles | C=CCSC[C@@H](C(=O)O)NC(=O)CC[C@@H](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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all