cyclo[DL-Ala-DL-Leu(5-Pr)-ObLeu-DL-Phe]
PubChem CID: 5316064
Connections displayed (default: 10).
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| Topological Polar Surface Area | 114.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 720.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-benzyl-6-methyl-3-(2-methylhexyl)-13-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C27H41N3O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAWAFKBGVLXVTN-UHFFFAOYSA-N |
| Fcsp3 | 0.6296296296296297 |
| Logs | -4.294 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.303 |
| Compound Name | cyclo[DL-Ala-DL-Leu(5-Pr)-ObLeu-DL-Phe] |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 487.305 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 487.305 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 487.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.223331342857143 |
| Inchi | InChI=1S/C27H41N3O5/c1-6-7-11-18(4)14-22-27(34)35-23(17(2)3)16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32) |
| Smiles | CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corchorus Capsularis (Plant) Rel Props:Source_db:cmaup_ingredients