General Information of the Compound
| Compound ID |
CP0211226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(1E,6E)-7-[4-[(2S)-2-amino-3-methylbutanoyl]oxy-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] (2S)-2-amino-3-methylbutanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N2O8
|
||||||||||||||||||
| Molecular Weight |
566.651
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC(=O)[C@@H](N)C(C)C)c(OC)c2)ccc1OC(=O)[C@@H](N)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N2O8/c1-18(2)28(32)30(36)40-24-13-9-20(15-26(24)38-5)7-11-22(34)17-23(35)12-8-21-10-14-25(27(16-21)39-6)41-31(37)29(33)19(3)4/h7-16,18-19,28-29H,17,32-33H2,1-6H3/b11-7+,12-8+/t28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVFUPBDRJITFOE-ILTOYGKPSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||