| CAS Number | 28252-55-3 |
| Catalog Number | AG00C4MW(AGN-PC-0R3RKY) |
| Chemical Name | H-Gln(Dod)-Ome HCl |
| IUPAC Name | methyl (2S)-2-amino-5-[bis(4-methoxyphenyl)methylamino]-5-oxopentanoate;hydrochloride |
| InChI | InChI=1S/C21H26N2O5.ClH/c1-26-16-8-4-14(5-9-16)20(15-6-10-17(27-2)11-7-15)23-19(24)13-12-18(22)21(25)28-3;/h4-11,18,20H,12-13,22H2,1-3H3,(H,23,24);1H/t18-;/m0./s1 |
| InChI Key | PFPSABRSNHTWDF-FERBBOLQSA-N |
| MDL Number | MFCD08272681 |
| Molecular Formula | C21H27ClN2O5 |
| Molecular Weight | 422.9025 |
| SMILES | Cl.N[C@H](C(=O)OC)CCC(=O)NC(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC |
| Synonyms | H-GLN(DOD)-OME HCL,
28252-55-3,
(S)-Methyl 2-amino-5-((bis(4-methoxyphenyl)methyl)amino)-5-oxopentanoate hydrochloride,
H-Gln(Dod)-OMe . HCl,
C21H26N2O5.HCl,
7139AH,
MFCD08272681,
AKOS027251078,
AK187103,
AS-49114,
K-7060,
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| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.906g/mol |
| Monoisotopic Mass | 422.161g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number