| CAS Number | 66438-39-9 |
| Catalog Number | AG00FBVR(AGN-PC-0TKUX3) |
| Chemical Name | boc-lys(2-chloro-z)-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate |
| InChI | InChI=1S/C23H30ClN3O8/c1-23(2,3)34-22(32)26-17(20(30)35-27-18(28)11-12-19(27)29)10-6-7-13-25-21(31)33-14-15-8-4-5-9-16(15)24/h4-5,8-9,17H,6-7,10-14H2,1-3H3,(H,25,31)(H,26,32)/t17-/m0/s1 |
| InChI Key | DLFRCISYWZDQHE-KRWDZBQOSA-N |
| MDL Number | MFCD00236855 |
| Molecular Formula | C23H30ClN3O8 |
| Molecular Weight | 511.9526 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=C(Cl)C=CC=C1)C(=O)ON1C(=O)CCC1=O |
| Synonyms | Boc-Lys(2-Chloro-Z)-Osu,
66438-39-9,
(S)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)-6-((((2-chlorobenzyl)oxy)carbonyl)amino)hexanoate,
Boc-Lys(Cl-Z)-OSu,
C23H30ClN3O8,
DLFRCISYWZDQHE-KRWDZBQOSA-N,
6403AH,
ZINC71788038,
AS-46940,
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| Complexity | 769 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 511.172143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512g/mol |
| Monoisotopic Mass | 511.172143g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 140Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number