| CAS Number | 1335206-40-0 |
| Catalog Number | AG00HSYG(AGN-PC-0WBSA4) |
| Chemical Name | 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylsulfonyl-amino]acetic acid |
| IUPAC Name | 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylsulfonylamino]acetic acid |
| InChI | InChI=1S/C20H22N2O6S/c1-29(26,27)22(12-19(23)24)11-10-21-20(25)28-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,21,25)(H,23,24) |
| InChI Key | NWSKDGKSEBRUPA-UHFFFAOYSA-N |
| MDL Number | MFCD26959160 |
| Molecular Formula | C20H22N2O6S |
| Molecular Weight | 418.4635 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCCN(S(=O)(=O)C)CC(=O)O |
| Synonyms | 1335206-40-0,
2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)methylsulfonamido)acetic acid,
glycine, n-[2-[[(9h-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-n-(methylsulfonyl)-,
2-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)ethyl-methylsulfonyl-amino]acetic acid,
SCHEMBL2470644,
KS-000007VP,
MFCD26959160,
ZINC96372401,
AKOS025291257,
SB22074,
N-[2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]-amino]ethyl]-N-(methylsulfonyl)-glycine,
AK171725,
AS-34837,
CS-0049345,
2-(N-(2-(((9H-fluoren-9-yl)methoxy)carbonylamino)ethyl)methylsulfonamido)acetic acid,
2-{N-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]methanesulfonamido}acetic acid,
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| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.464g/mol |
| Monoisotopic Mass | 418.12g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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