General Information of the Compound
| Compound ID |
CP0390475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL215513
YRFB
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N7O6
|
||||||||||||||||||
| Molecular Weight |
555.636
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N7O6/c28-20(15-18-8-10-19(35)11-9-18)24(38)33-21(7-4-13-32-27(29)30)26(40)34-22(16-17-5-2-1-3-6-17)25(39)31-14-12-23(36)37/h1-3,5-6,8-11,20-22,35H,4,7,12-16,28H2,(H,31,39)(H,33,38)(H,34,40)(H,36,37)(H4,29,30,32)/t20-,21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNBYETXMULNTPG-FKBYEOEOSA-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
Clinical Information about the Compound