General Information of the Compound
| Compound ID |
CP0528371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[(2S)-1-[[1-(8-methoxyoctylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H49N3O5
|
||||||||||||||||||
| Molecular Weight |
567.771
|
||||||||||||||||||
| Canonical SMILES |
COCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H49N3O5/c1-32(2,3)41-31(39)35-28(24-26-18-12-10-13-19-26)29(37)36-33(4,25-27-20-14-11-15-21-27)30(38)34-22-16-8-6-7-9-17-23-40-5/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,33?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHBDZHXOELPCAS-YCIOTGQKSA-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