| CAS Number | 252206-29-4 |
| Catalog Number | AG00BH8H(AGN-PC-0WBOKY) |
| Chemical Name | FMOC-D-CYS(MTT)-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid |
| InChI | InChI=1S/C38H33NO4S/c1-26-20-22-29(23-21-26)38(27-12-4-2-5-13-27,28-14-6-3-7-15-28)44-25-35(36(40)41)39-37(42)43-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)/t35-/m1/s1 |
| InChI Key | PCCZXLMDPCBTSL-PGUFJCEWSA-N |
| MDL Number | MFCD14155676 |
| Molecular Formula | C38H33NO4S |
| Molecular Weight | 599.7379 |
| SMILES | Cc1ccc(cc1)C(SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)(c1ccccc1)c1ccccc1 |
| Synonyms | Fmoc-D-Cys(Mtt)-OH,
252206-29-4,
N-Fmoc-S-[(4-methylphenyl)diphenylmethyl]-D-cysteine,
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-[(4-methylphenyl)(diphenyl)methyl]-L-cysteine,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((diphenyl(p-tolyl)methyl)thio)propanoic acid,
MFCD14155676,
ZINC71788196,
AKOS027338184,
269067-38-1,
|
| Complexity | 897 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 599.213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 599.745g/mol |
| Monoisotopic Mass | 599.213g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number