General Information of the Compound
| Compound ID |
CP0866550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(3-Amino-4-((S)-2-amino-4-(4-hydroxyphenyl)-butanamido)benzamido)-3-(1H-indol-3-yl)propanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5O5
|
||||||||||||||||||
| Molecular Weight |
515.57
|
||||||||||||||||||
| Canonical SMILES |
Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1NC(=O)[C@@H](N)CCc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5O5/c29-21(11-7-16-5-9-19(34)10-6-16)27(36)32-24-12-8-17(13-22(24)30)26(35)33-25(28(37)38)14-18-15-31-23-4-2-1-3-20(18)23/h1-6,8-10,12-13,15,21,25,31,34H,7,11,14,29-30H2,(H,32,36)(H,33,35)(H,37,38)/t21-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFIZLFVZFOTXHE-OFVILXPXSA-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase