| CAS Number | 587854-43-1 |
| Catalog Number | AG00EBAN(AGN-PC-0SQJSK) |
| Chemical Name | Fmoc-Lys(Boc-Cys(Trt))-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]hexanoic acid |
| InChI | InChI=1S/C48H51N3O7S/c1-47(2,3)58-46(56)51-42(32-59-48(33-19-7-4-8-20-33,34-21-9-5-10-22-34)35-23-11-6-12-24-35)43(52)49-30-18-17-29-41(44(53)54)50-45(55)57-31-40-38-27-15-13-25-36(38)37-26-14-16-28-39(37)40/h4-16,19-28,40-42H,17-18,29-32H2,1-3H3,(H,49,52)(H,50,55)(H,51,56)(H,53,54)/t41-,42-/m0/s1 |
| InChI Key | DKIRZVVHIJMLBK-COCZKOEFSA-N |
| MDL Number | MFCD08064308 |
| Molecular Formula | C48H51N3O7S |
| Molecular Weight | 813.9994 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CCCCNC([C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OC(C)(C)C)=O |
| Synonyms | Fmoc-lys(boc-cys(trt))-OH,
587854-43-1,
MFCD08064308,
AKOS030525066,
ZINC150663867,
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| Complexity | 1290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 813.345g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 59 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 814.01g/mol |
| Monoisotopic Mass | 813.345g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 168A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.2 |
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Certificate of Analysis
Lot Number