| CAS Number | 51782-82-2 |
| Catalog Number | AG00I994(AGN-PC-0SB6HD) |
| Chemical Name | BOC-Glu(OBzl)-Gly-OH |
| IUPAC Name | 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]acetic acid |
| InChI | InChI=1S/C19H26N2O7/c1-19(2,3)28-18(26)21-14(17(25)20-11-15(22)23)9-10-16(24)27-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)(H,21,26)(H,22,23) |
| InChI Key | PDMGCXFHFKHGAL-UHFFFAOYSA-N |
| MDL Number | MFCD30726979 |
| Molecular Formula | C19H26N2O7 |
| Molecular Weight | 394.4189 |
| SMILES | O=C(OCc1ccccc1)CC[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C |
| Synonyms | BOC-Glu(OBzl)-Gly-OH,
51782-82-2,
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| Complexity | 551 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.424g/mol |
| Monoisotopic Mass | 394.174g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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