General Information of the Compound
| Compound ID |
CP0542851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39N3O9
|
||||||||||||||||||
| Molecular Weight |
549.621
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(O)c(OC)c1)C(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39N3O9/c1-6-38-23(33)11-9-19(27(36)39-7-2)29-26(35)24(15(3)4)30-22(32)14-28-25(34)18-13-17(18)16-8-10-20(31)21(12-16)37-5/h8,10,12,15,17-19,24,31H,6-7,9,11,13-14H2,1-5H3,(H,28,34)(H,29,35)(H,30,32)/t17?,18?,19-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYCFJHUGVWENJB-QAWQHFAHSA-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 | |||||||||||||||||||
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