| CAS Number | 946727-62-4 |
| Catalog Number | AG00IIFW(AGN-PC-0WBODB) |
| Chemical Name | (4-Fmoc-amino-tetrahydrothiopyran-4-yl)-acetic acid |
| IUPAC Name | 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid |
| InChI | InChI=1S/C22H23NO4S/c24-20(25)13-22(9-11-28-12-10-22)23-21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25) |
| InChI Key | MOZSRIGQQHPMTM-UHFFFAOYSA-N |
| MDL Number | MFCD09264207 |
| Molecular Formula | C22H23NO4S |
| Molecular Weight | 397.4873 |
| SMILES | OC(CC1(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CCSCC1)=O |
| Synonyms | 946727-62-4,
(4-Fmoc-amino-tetrahydrothiopyran-4-yl)acetic acid,
[4-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)tetrahydro-2H-thiopyran-4-yl]acetic acid,
[4-(([(9H-Fluoren-9-yl)methoxy]carbonyl)amino)tetrahydro-2H-thiopyran-4-yl]acetic acid,
DTXSID20589241,
ZX-AT002153,
4488AH,
MFCD09264207,
OR2672,
ZINC14632725,
PS-10978,
A-8148,
(4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}thian-4-yl)acetic acid,
4-Amino-4-(carboxymethyl)tetrahydro-2H-thiopyran, N-FMOC protected,
[4-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)thian-4-yl]acetic acid,
[4-Amino(tetrahydro-2H-thiopyran-4-yl)]acetic acid, N-FMOC protected,
(9H-Fluoren-9-yl)methyl [4-(carboxymethyl)tetrahydro-2H-thiopyran-4-yl]carbamate,
C22H23NO4S,
(4-Fmoc-amino-tetrahydrothiopyran-4-yl)-acetic acid,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.489g/mol |
| Monoisotopic Mass | 397.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number