| CAS Number | 63091-89-4 |
| Catalog Number | AG00EDL5(AGN-PC-0WADG9) |
| Chemical Name | H-GLU(OBZL)-NH2 HCL |
| IUPAC Name | benzyl (4S)-4,5-diamino-5-oxopentanoate;hydrochloride |
| InChI | InChI=1S/C12H16N2O3.ClH/c13-10(12(14)16)6-7-11(15)17-8-9-4-2-1-3-5-9;/h1-5,10H,6-8,13H2,(H2,14,16);1H/t10-;/m0./s1 |
| InChI Key | HSXVFJRDTASLQJ-PPHPATTJSA-N |
| MDL Number | MFCD00153434 |
| Molecular Formula | C12H17ClN2O3 |
| Molecular Weight | 272.7280 |
| SMILES | Cl.N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(N)=O |
| Synonyms | 63091-89-4,
H-GLU(OBZL)-NH2 HCL,
L-ISOGLUTAMINE BENZYL ESTER HCL,
H-Glu(OBzl)-NH2 inverted exclamation mark currencyHCl,
L-Glutamic acid g-benzyl ester a-amide hydrochloride,
SCHEMBL11288415,
DTXSID20704831,
H-L-Glu(Bzl)-NH2 Hydrochloride,
ACT10877,
KM0701,
MFCD00153434,
AKOS027328001,
L-Isoglutamine benzyl ester hydrochloride,
AS-49102,
BP-12449,
Glutamic amide-gamma-benzyl ester hydrochloride,
Benzyl L-alpha-glutaminate--hydrogen chloride (1/1),
H-GLU -NH2HCL,
benzyl (4S)-4,5-diamino-5-oxopentanoate,hydrochloride,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.729g/mol |
| Monoisotopic Mass | 272.093g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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