| CAS Number | 501326-55-2 |
| Catalog Number | AG006VUV(AGN-PC-0S6ICD) |
| Chemical Name | Fmoc-S-tert-butylthio-D-cysteine |
| IUPAC Name | (2S)-3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1 |
| InChI Key | ZDUMTHLUTJOUML-LJQANCHMSA-N |
| MDL Number | MFCD01632050 |
| Molecular Formula | C22H25NO4S2 |
| Molecular Weight | 431.5682 |
| SMILES | C(C)(C)(C)SSC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12 |
| Synonyms | Fmoc-D-Cys(stbu)-OH,
501326-55-2,
Fmoc-S-tert-butylthio-D-cysteine,
C22H25NO4S2,
ZINC2382547,
6830AH,
MFCD01632050,
AKOS027251027,
ACM501326552,
AS-49018,
FT-0772375,
326F552,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(t-butylthio)-D-cysteine,
N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-(tert-butylthio)-D-cysteine,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butyldisulfanyl)propanoic acid,
73724-43-3,
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| Complexity | 558 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.565g/mol |
| Monoisotopic Mass | 431.123g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number