| CAS Number | 56877-41-9 |
| Catalog Number | AG00EG0J(AGN-PC-0SMKV2) |
| Chemical Name | Z-Glu(OtBu)-OMe |
| IUPAC Name | 5-O-tert-butyl 1-O-methyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate |
| InChI | InChI=1S/C18H25NO6/c1-18(2,3)25-15(20)11-10-14(16(21)23-4)19-17(22)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)/t14-/m0/s1 |
| InChI Key | BRMSLIYSWUEHJT-AWEZNQCLSA-N |
| MDL Number | MFCD01862315 |
| Molecular Formula | C18H25NO6 |
| Molecular Weight | 351.3942 |
| SMILES | COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 |
| Synonyms | Z-GLU(OTBU)-OME,
56877-41-9,
ZINC2386611,
KM0040,
MFCD01862315,
AK170242,
V6676,
N-(Benzyloxycarbonyl)-L-glutamic acid 1-methyl 5-tert-butyl ester,
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-methyl ester,
C18H25NO6,
CID11279574,
Z-L-glutamic acid g-tert-butyl ester a-methyl ester,
Methyl Tert-butyl (2S)-2-phenylmethoxycarbonylaminopentanedioate,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.399g/mol |
| Monoisotopic Mass | 351.168g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number