General Information of the Compound
Compound ID |
CP0047767
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-(2-benzyl-3-sulfanylpropanamido)acetic acid
Show/Hide
|
||||||||||||||||||
Synonyms |
(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE
(S) (2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid
(S)-THIORPHAN
1zdp
2-[(2S)-2-benzyl-3-sulfanylpropanamido]acetic acid
2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]acetic acid
95909-00-5
AC1N9ZZO
BDBM50024102
CAS-76721-89-6
CHEMBL298827
DB08626
GTPL5278
Glycine, N-[(2S)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-
Lopac-T-6031
N-[(2S)-2-benzyl-3-sulfanylpropanoyl]glycine
NCGC00016033-01
NCGC00016933-01
SCHEMBL49662
Thiorphan
UNII-B79L7B5X3Z component LJJ
ZINC3872336
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C12H15NO3S
|
||||||||||||||||||
Molecular Weight |
253.323
|
||||||||||||||||||
Canonical SMILES |
OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
Show/Hide
|
||||||||||||||||||
InChIKey |
LJJKNPQAGWVLDQ-UHFFFAOYSA-N
|
||||||||||||||||||
CAS |
76721-89-6
93783-79-0
|
||||||||||||||||||
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