| CAS Number | 73548-77-3 |
| Catalog Number | AG00ICEZ(AGN-PC-0U37RH) |
| Chemical Name | L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, methylester |
| IUPAC Name | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate |
| InChI | InChI=1S/C20H30N2O6/c1-20(2,3)28-19(25)22-16(17(23)26-4)12-8-9-13-21-18(24)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-/m0/s1 |
| InChI Key | PUJVYJATJHQXRX-INIZCTEOSA-N |
| MDL Number | MFCD03788041 |
| Molecular Formula | C20H30N2O6 |
| Molecular Weight | 394.4620 |
| SMILES | O=C(OC)[C@@H](NC(OC(C)(C)C)=O)CCCCNC(OCC1=CC=CC=C1)=O |
| Synonyms | BOC-L-LYS(Z)-OME,
73548-77-3,
Boc-Lys(Cbz)-OMe,
Boc-L-Lys(Z)OMe,
Boc-Lys(Z)-OMe,
SCHEMBL2329143,
PUJVYJATJHQXRX-INIZCTEOSA-N,
KM5478,
MFCD03788041,
ZINC36435051,
Nalpha-Boc-Nepsilon-Cbz-L-lysine methyl ester,
Nalpha -Boc-Nepsilon -Cbz-L-lysine methyl ester,
Nalpha-t-butoxycarbonyl-Nepsilon-benzyloxycarbonyllysine methyl ester,
(S)-methyl 6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoate,
Nalpha-tert-butoxycarbonyl-Nepsilon-benzyloxycarbonyl-L-lysine methyl ester,
methyl (2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butyloxy)-carbonyl]amino}hexanoate,
methyl (2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butyloxy)carbonyl]amino}hexanoate,
Nepsilon -Benzyloxycarbonyl-Nalpha -(tert-butoxycarbonyl)-L-lysine methyl ester,
CID11132998,
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxycarbonylamino-hexanoate,
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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 | 394.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.468g/mol |
| Monoisotopic Mass | 394.21g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 103A^2 |
| 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