General Information of the Compound
| Compound ID |
CP0577096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-2-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N5O7
|
||||||||||||||||||
| Molecular Weight |
521.615
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CNC(CO)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N5O7/c1-14(2)8-20(29-24(35)22(33)18(26)11-27-16(12-31)13-32)23(34)30-21(25(36)37-3)9-15-10-28-19-7-5-4-6-17(15)19/h4-7,10,14,16,18,20-22,27-28,31-33H,8-9,11-13,26H2,1-3H3,(H,29,35)(H,30,34)/t18-,20+,21+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLTMYYQEAJDPSU-GBAJDQEWSA-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