| CAS Number | 269730-62-3 |
| Catalog Number | AG003QMY(AGN-PC-0R2V15) |
| Chemical Name | (2R)-3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpropanoic acid |
| InChI | InChI=1S/C24H27NO6S/c1-24(2,3)31-21(26)14-32-13-20(22(27)28)25-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1 |
| InChI Key | NLQIBSKINOPHNA-FQEVSTJZSA-N |
| MDL Number | MFCD02094571 |
| Molecular Formula | C24H27NO6S |
| Molecular Weight | 457.5393 |
| SMILES | O=C(O)[C@H](CSCC(OC(C)(C)C)=O)NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O |
| Synonyms | Fmoc-Cys(t-butylcarboxymethyl)-OH,
269730-62-3,
Fmoc-Cys(Boc-methyl)-OH,
Fmoc-Cys(tert-butoxycarbonylmethyl)-OH,
C24H27NO6S,
SCHEMBL17079649,
DTXSID80746297,
ZINC2389800,
6807AH,
MFCD02094571,
ACM269730623,
AS-49030,
Fmoc-Cys(Boc-methyl)-OH, >=98.0% (HPLC),
J-016637,
(R)-Fmoc-2-amino-3-(tert-butoxycarbonylmethylsulfanyl)-propionic acid,
L-Cysteine,S-[2-(1,1-dimethylethoxy)-2-oxoethyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,
S-(2-tert-Butoxy-2-oxoethyl)-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-cysteine,
(2R)-3-{[2-(TERT-BUTOXY)-2-OXOETHYL]SULFANYL}-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PROPANOIC ACID,
|
| Complexity | 656 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 457.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 457.541g/mol |
| Monoisotopic Mass | 457.156g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number