General Information of the Compound
| Compound ID |
CP0460903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[(2S)-1-[[(2R)-1-[(9-amino-9-oxononyl)amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H48N4O5
|
||||||||||||||||||
| Molecular Weight |
580.77
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)36-27(23-25-17-11-9-12-18-25)29(39)37-33(4,24-26-19-13-10-14-20-26)30(40)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,40)(H,36,41)(H,37,39)/t27-,33+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNUWZGCKTIAODT-VCTRWQRLSA-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