| CAS Number | 198543-46-3 |
| Catalog Number | AG002BL1(AGN-PC-0WBO3B) |
| Chemical Name | Fmoc-cysteinol(acm) |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-[(2R)-1-(acetamidomethylsulfanyl)-3-hydroxypropan-2-yl]carbamate |
| InChI | InChI=1S/C21H24N2O4S/c1-14(25)22-13-28-12-15(10-24)23-21(26)27-11-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,24H,10-13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1 |
| InChI Key | ILFFSHOJZXAWJQ-OAHLLOKOSA-N |
| MDL Number | MFCD02094116 |
| Molecular Formula | C21H24N2O4S |
| Molecular Weight | 400.4913 |
| SMILES | OC[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CSCNC(=O)C |
| Synonyms | fmoc-Cysteinol(acm),
198543-46-3,
Fmoc-L-Cysteinol(Acm),
ZINC2577038,
6922AH,
MFCD02094116,
AKOS025289459,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(acetyl-aminomethyl)-L-cysteinol,
Carbamic acid, [(1R)-2-[[(acetylamino)methyl]thio]-1-(hydroxymethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester (9CI),
FMOC-CYS(ACM)-OL,
C21H24N2O4S,
Fmoc-S-Acetamidomethyl-L-Cysteinol,
A7314,
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| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.493g/mol |
| Monoisotopic Mass | 400.146g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number