General Information of the Compound
| Compound ID |
CP0405720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4R)-tert-butyl 4-(benzyloxy)-2-(((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylamino)methyl)pyrrolidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H51N3O7
|
||||||||||||||||||
| Molecular Weight |
625.807
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H51N3O7/c1-34(2,3)44-31(39)30(19-13-14-20-36-32(40)43-25-27-17-11-8-12-18-27)37-22-28-21-29(42-24-26-15-9-7-10-16-26)23-38(28)33(41)45-35(4,5)6/h7-12,15-18,28-30,37H,13-14,19-25H2,1-6H3,(H,36,40)/t28-,29+,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTVBRWZQHJAIAX-JBOQNHBVSA-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 | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound