| CAS Number | 18800-75-4 |
| Catalog Number | AG002GN7(AGN-PC-0QH444) |
| Chemical Name | D-Isoglutamine benzyl ester monochlorohydrate |
| IUPAC Name | benzyl (4R)-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-;/m1./s1 |
| InChI Key | HSXVFJRDTASLQJ-HNCPQSOCSA-N |
| MDL Number | MFCD05663749 |
| Molecular Formula | C12H17ClN2O4 |
| Molecular Weight | 288.7274 |
| SMILES | ClO.C(C1=CC=CC=C1)OC(CC[C@@H](N)C(N)=O)=O |
| Synonyms | 18800-75-4,
D-Isoglutamine benzyl ester hydrochloride,
H-D-GLU(OBZL)-NH2 HCL,
D-ISOGLUTAMINE BENZYL ESTER HCL,
HSXVFJRDTASLQJ-HNCPQSOCSA-N,
SCHEMBL11599325,
ACT10047,
benzyl D-isoglutaminate hydrochloride,
MFCD05663749,
AS-49101,
K-5642,
D-Glutamic amide-gamma-benzyl ester hydrochloride,
H-D-Glu(OBzl)-NH2 inverted exclamation mark currencyHCl,
Pentanoic acid, 4,5-diamino-5-oxo-, phenylmethyl ester, hydrochloride (1:1), (4R)-,
(R)-benzyl 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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