| CAS Number | 78658-49-8 |
| Catalog Number | AG00G3K3(AGN-PC-0UDPFY) |
| Chemical Name | Boc-Glu(OSu)-OBzl |
| IUPAC Name | 1-O-benzyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate |
| InChI | InChI=1S/C21H26N2O8/c1-21(2,3)30-20(28)22-15(19(27)29-13-14-7-5-4-6-8-14)9-12-18(26)31-23-16(24)10-11-17(23)25/h4-8,15H,9-13H2,1-3H3,(H,22,28)/t15-/m0/s1 |
| InChI Key | UZVYXLRCVBQZNV-HNNXBMFYSA-N |
| MDL Number | MFCD00038648 |
| Molecular Formula | C21H26N2O8 |
| Molecular Weight | 434.4397 |
| SMILES | O=C(OCC1=CC=CC=C1)[C@@H](NC(OC(C)(C)C)=O)CCC(ON2C(CCC2=O)=O)=O |
| Synonyms | BOC-GLU(OSU)-OBZL,
78658-49-8,
6362AH,
KM1929,
MFCD00038648,
ZINC71788026,
AS-49099,
N-(tert-Butoxycarbonyl)-L-glutamic acid 1-benzyl 5-succinimidyl ester,
BOC-GLU -OBZL,
C21H26N2O8,
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| Complexity | 678 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.445g/mol |
| Monoisotopic Mass | 434.169g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 128A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number