| CAS Number | 16947-07-2 |
| Catalog Number | AG00ABBV(AGN-PC-0Q9GO0) |
| Chemical Name | boc-glu(ome)-onp |
| IUPAC Name | 5-O-methyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate |
| InChI | InChI=1S/C17H22N2O8/c1-17(2,3)27-16(22)18-13(9-10-14(20)25-4)15(21)26-12-7-5-11(6-8-12)19(23)24/h5-8,13H,9-10H2,1-4H3,(H,18,22)/t13-/m0/s1 |
| InChI Key | NBDDNYQRWHNTOO-ZDUSSCGKSA-N |
| MDL Number | MFCD00190793 |
| Molecular Formula | C17H22N2O8 |
| Molecular Weight | 382.3652 |
| SMILES | COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | BOC-GLU(OME)-ONP,
16947-07-2,
Boc-L-glutamic acid gamma-methyl ester alpha-4-nitrophenyl ester,
(S)-5-Methyl 1-(4-nitrophenyl) 2-((tert-butoxycarbonyl)amino)pentanedioate,
CTK8F8288,
DTXSID50427061,
ZINC2556543,
6361AH,
MFCD00190793,
AKOS022181184,
AS-49096,
K-5236,
5-Methyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)-L-glutamate,
C17H22N2O8,
ZINC02556543,
CID7019047,
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| Complexity | 544 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.369g/mol |
| Monoisotopic Mass | 382.138g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number