| CAS Number | 172846-56-9 |
| Catalog Number | AG00HZLE(AGN-PC-0QA720) |
| Chemical Name | methyl (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate |
| IUPAC Name | methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate |
| InChI | InChI=1S/C27H34N2O6/c1-27(2,3)35-25(31)28-16-10-9-15-23(24(30)33-4)29-26(32)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,31)(H,29,32)/t23-/m0/s1 |
| InChI Key | CWFPAKDWGRPOSF-QHCPKHFHSA-N |
| MDL Number | MFCD27578324 |
| Molecular Formula | C27H34N2O6 |
| Molecular Weight | 482.5687 |
| SMILES | O=C(OC)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCCCNC(OC(C)(C)C)=O |
| Synonyms | 172846-56-9,
(S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoate,
SCHEMBL2736294,
ZINC97756792,
L-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, methyl ester,
methyl (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate,
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| Complexity | 699 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 482.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.577g/mol |
| Monoisotopic Mass | 482.242g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
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