Cyclo-Tyr-Gly-Gly-Ala-Ala-Val
PubChem CID: 362685
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NSC626920, Cyclo-Tyr-Gly-Gly-Ala-Ala-Val, CHEMBL2002400, NSC-626920, NCI60_008516, 3-(4-Hydroxybenzyl)-6-isopropyl-9,12-dimethyl-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone |
|---|---|
| Topological Polar Surface Area | 195.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 872.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(4-hydroxyphenyl)methyl]-9,12-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone |
| Prediction Hob | 0.0 |
| Xlogp | -0.1 |
| Molecular Formula | C24H34N6O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMBYOZQFNHPCMB-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.613 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.354 |
| Compound Name | Cyclo-Tyr-Gly-Gly-Ala-Ala-Val |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 518.249 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 518.249 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 518.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.130040200000001 |
| Inchi | InChI=1S/C24H34N6O7/c1-12(2)20-24(37)29-17(9-15-5-7-16(31)8-6-15)23(36)26-10-18(32)25-11-19(33)27-13(3)21(34)28-14(4)22(35)30-20/h5-8,12-14,17,20,31H,9-11H2,1-4H3,(H,25,32)(H,26,36)(H,27,33)(H,28,34)(H,29,37)(H,30,35) |
| Smiles | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1)CC2=CC=C(C=C2)O)C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actiniopteris Dichotoma (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aganosma Dichotoma (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Barleria Dichotoma (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ceropegia Dichotoma (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cordia Dichotoma (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Echites Dichotoma (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Fimbristylis Dichotoma (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hoppea Dichotoma (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hyphaene Dichotoma (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Iris Dichotoma (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Stellaria Alsine (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Stellaria Aquatica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Stellaria Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Stellaria Holostea (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Synapis Dichotoma (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Tabernaemontana Dichotoma (Plant) Rel Props:Reference: