| CAS Number | 18710-27-5 |
| Catalog Number | AG00ACJ1(AGN-PC-0QG6B9) |
| Chemical Name | H-GLU(CYS-BETA-ALA-OH)-OH |
| IUPAC Name | (2S)-2-amino-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 |
| InChI Key | HKBNQXMLSMKLJV-BQBZGAKWSA-N |
| MDL Number | MFCD03094436 |
| Molecular Formula | C11H19N3O6S |
| Molecular Weight | 321.3501 |
| SMILES | C(=O)(O)CCNC([C@H](CS)NC(CC[C@H](N)C(=O)O)=O)=O |
| Synonyms | homoglutathione,
homoglutathione,
18710-27-5,
L=L-Homoglutathione,
C04544,
AC1L997X,
SCHEMBL2067187,
CHEBI:17078,
ZINC4096455,
gamma-glutamyl-cysteinyl-beta-alanine,
MFCD01318801,
L-gamma-glutamyl-L-cysteinyl-beta-alanine,
2-amino-4-({1-[(2-carboxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid,
(2S)-2-amino-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid,
CID440380,
gamma-L-Glutamyl-L-cysteinyl-beta-alanine,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.348g/mol |
| Monoisotopic Mass | 321.099g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number