| CAS Number | 84559-78-4 |
| Catalog Number | AG00IDE7(AGN-PC-0USASE) |
| Chemical Name | N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-D-lysine methyl ester |
| IUPAC Name | methyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoate |
| InChI | InChI=1S/C20H30N2O6/c1-20(2,3)28-18(24)21-13-9-8-12-16(17(23)26-4)22-19(25)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)/t16-/m1/s1 |
| InChI Key | ZJWQKFBUQSKZOS-MRXNPFEDSA-N |
| MDL Number | MFCD22548384 |
| Molecular Formula | C20H30N2O6 |
| Molecular Weight | 394.4620 |
| SMILES | C(OC(N[C@H](CCCCNC(OC(C)(C)C)=O)C(OC)=O)=O)C1=CC=CC=C1 |
| Synonyms | Z-D-LYS(BOC)-OME,
84559-78-4,
(R)-Methyl 2-(((benzyloxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoate,
ZINC5353621,
KM5624,
D-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, methylester,
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| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.210387g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.5g/mol |
| Monoisotopic Mass | 394.210387g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 103Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number