General Information of the Compound
| Compound ID |
CP0547217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,6S)-5-amino-6-hydroxy-7-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-7-oxoheptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N4O7
|
||||||||||||||||||
| Molecular Weight |
580.682
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N4O7/c1-19(2)15-25(34-30(40)28(38)23(32)12-8-14-27(36)37)29(39)35-26(31(41)42-18-20-9-4-3-5-10-20)16-21-17-33-24-13-7-6-11-22(21)24/h3-7,9-11,13,17,19,23,25-26,28,33,38H,8,12,14-16,18,32H2,1-2H3,(H,34,40)(H,35,39)(H,36,37)/t23-,25+,26+,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKUGLBWIDGRJLB-XAUNCYBDSA-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
Protein ID: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05005, Interleukin-1 receptor antagonist protein