| CAS Number | 192203-60-4 |
| Catalog Number | AG00ABJE |
| Chemical Name | Carboxypeptidase G2 Inhibitor |
| IUPAC Name | (2S)-2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid |
| InChI | InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1 |
| InChI Key | OBCGYIKABKFIQB-JTQLQIEISA-N |
| MDL Number | MFCD16039212 |
| Molecular Formula | C13H15NO6S |
| Molecular Weight | 313.3263 |
| SMILES | C(=O)(SC1C=CC(OC)=CC=1)N[C@@H](CCC(O)=O)C(O)=O |
| Synonyms | Carboxypeptidase G2 (CPG2) Inhibitor,
192203-60-4,
N-[[(4-Methoxyphenyl)thio]carbonyl]-L-glutamic acid,
CHEMBL175115,
DTXSID50430878,
BCP20561,
ZINC2006281,
AKOS030526688,
CS-0824,
HY-70003,
A15035,
W-5633,
N-[(4-Methoxyphenylthio)carbonyl]-L-glutamic acid,
CPG2 Inhibitor;L-Glutamic acid, N-[[(4-methoxyphenyl)thio]carbonyl]-,
CID9796834,
A3281,
2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioic Acid,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.324g/mol |
| Monoisotopic Mass | 313.062g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number