| CAS Number | 133852-23-0 |
| Catalog Number | AG009DHA(AGN-PC-0PK5GJ) |
| Chemical Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-tyrosine 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate |
| InChI | InChI=1S/C28H29NO5/c1-28(2,3)34-26(31)25(16-18-12-14-19(30)15-13-18)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25,30H,16-17H2,1-3H3,(H,29,32)/t25-/m0/s1 |
| InChI Key | VJSGNJOUWWMJDE-VWLOTQADSA-N |
| MDL Number | MFCD20264831 |
| Molecular Formula | C28H29NO5 |
| Molecular Weight | 459.5336 |
| SMILES | OC(C=C1)=CC=C1C[C@@H](C(OC(C)(C)C)=O)NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O |
| Synonyms | Fmoc-Tyr-OtBu,
133852-23-0,
SCHEMBL7338800,
KS-00000SYJ,
VJSGNJOUWWMJDE-VWLOTQADSA-N,
MFCD20264831,
STL466192,
ZINC30819561,
AKOS016354948,
DS-9774,
MCULE-1015244949,
N-(9H-Fluoren-9-ylmethoxycarbonyl)-L-tyrosine tert-butyl ester,
tert-butyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosinate,
(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)-propionic acid tert-butyl ester,
C28H29NO5,
(S)-tert-butyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(4-hydroxyphenyl)propanoate,
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| Complexity | 673 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.542g/mol |
| Monoisotopic Mass | 459.205g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number