cyclo(L-Phe-L-Val)
PubChem CID: 13783105
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| Compound Synonyms | cyclo(L-Phe-L-Val), 35590-86-4, Cyclo-(L-Val-L-Phe), (3S,6S)-3-benzyl-6-propan-2-ylpiperazine-2,5-dione, Cyclo-(L-Phe-L-Val), 3S-(1-methylethyl)-6S-(phenylmethyl)-2,5-piperazinedione, (3S,6S)-3-Benzyl-6-isopropylpiperazine-2,5-dione, (3S,6S)-3-benzyl-6-(propan-2-yl)piperazine-2,5-dione, (3S,6S)-3-benzyl-6-isopropyl-piperazine-2,5-dione, CHEMBL503815, SCHEMBL25310386, CHEBI:215013, DA-72470, HY-121982, CS-0083802 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,6S)-3-benzyl-6-propan-2-ylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C14H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OQQPOHUVAQPSHJ-RYUDHWBXSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.148 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.82 |
| Compound Name | cyclo(L-Phe-L-Val) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 246.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 246.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1167886666666664 |
| Inchi | InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17)/t11-,12-/m0/s1 |
| Smiles | CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all