| CAS Number | 219967-68-7 |
| Catalog Number | AG003QOD(AGN-PC-0QYJD3) |
| Chemical Name | Fmoc-beta-lys(boc)-oh |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-14-8-9-17(15-23(29)30)28-25(32)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-/m0/s1 |
| InChI Key | SETTXXCZEDLMRX-KRWDZBQOSA-N |
| MDL Number | MFCD11227264 |
| Molecular Formula | C26H32N2O6 |
| Molecular Weight | 468.5421 |
| SMILES | CC(C)(OC(=O)NCCC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C |
| Synonyms | Fmoc-L-beta-Lys(Boc)-OH,
219967-68-7,
Fmoc-|A-Lys(Boc)-OH,
Fmoc-L-|A-HomoOrn(Boc)-OH,
DTXSID50746340,
N|A-Fmoc-N?-Boc-L-|A-lysine,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,
KS-00000RM7,
MFCD11227264,
ZINC71772056,
DS-12011,
Fmoc-beta-Lys(Boc)-OH, >=98% (HPLC),
(3S)-6-(tert-butoxycarbonylamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid,
(S)-6-(tert-Butoxycarbonylamino)-3-(fluoren-9-ylmethoxycarbonylamino)hexanoic acid,
(3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid,
(3S)-6-[(tert-Butoxycarbonyl)amino]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid,
(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid, 95+%,
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| Complexity | 684 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.55g/mol |
| Monoisotopic Mass | 468.226g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H413
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Packing Group
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Precautionary statements
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P273
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UN Code
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Certificate of Analysis
Lot Number