General Information of the Compound
| Compound ID |
CP0430490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-5-guanidino-pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40N5O7P
|
||||||||||||||||||
| Molecular Weight |
637.674
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40N5O7P/c33-31(34)35-18-10-17-27(30(39)40)36-29(38)26(19-23-11-4-1-5-12-23)22-45(42,43)28(20-24-13-6-2-7-14-24)37-32(41)44-21-25-15-8-3-9-16-25/h1-9,11-16,26-28H,10,17-22H2,(H,36,38)(H,37,41)(H,39,40)(H,42,43)(H4,33,34,35)/t26?,27-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZGJMDFWRSCWQN-DXISBFFWSA-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
Protein ID: PT01982, Endothelin-converting enzyme 1
Protein ID: PT01575, Neprilysin