| CAS Number | 2643-70-1 |
| Catalog Number | AG002T6X(AGN-PC-0R2EJW) |
| Chemical Name | H-Gamma-Glu-4-abz-OH |
| IUPAC Name | 4-[[(4S)-4-amino-4-carboxybutanoyl]amino]benzoic acid |
| InChI | InChI=1S/C12H14N2O5/c13-9(12(18)19)5-6-10(15)14-8-3-1-7(2-4-8)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)(H,18,19)/t9-/m0/s1 |
| InChI Key | DPRFSOHHKVLCCY-VIFPVBQESA-N |
| MDL Number | MFCD00038802 |
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.2500 |
| SMILES | N[C@@H](CCC(=O)Nc1ccc(cc1)C(=O)O)C(=O)O |
| Synonyms | H-GAMMA-GLU-4-ABZ-OH,
2643-70-1,
H--Glu-4-Abz-OH,
(S)-4-(4-Amino-4-carboxybutanamido)benzoic acid,
Benzoic acid, 4-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-,
gamma-gLu-4-abz-oh,
g-Glu-4-Abz-OH,
SCHEMBL9562940,
ZINC2391143,
7136AH,
MFCD00038802,
FT-0634425,
K-6845,
C-50713,
H-|A-Glu-4-Abz-OH,
H-.gamma.-Glu-4-Abz-OH,
C12H14N2O5,
CID7010622,
4-[[(4S)-4-amino-4-carboxy-butanoyl]amino]benzoic Acid,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.253g/mol |
| Monoisotopic Mass | 266.09g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
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Certificate of Analysis
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