| CAS Number | 200354-41-2 |
| Catalog Number | AG002CPX(AGN-PC-0QRBDR) |
| Chemical Name | fmoc-d-cys(mbzl)-oh |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methylphenyl)methylsulfanyl]propanoic acid |
| InChI | InChI=1S/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m1/s1 |
| InChI Key | OQYBTXFHTQYWCZ-XMMPIXPASA-N |
| MDL Number | MFCD00237013 |
| Molecular Formula | C26H25NO4S |
| Molecular Weight | 447.5460 |
| SMILES | CC1=CC=C(CSC[C@@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1 |
| Synonyms | Fmoc-D-Cys(Mbzl)-OH,
200354-41-2,
Fmoc-S-4-methylbenzyl-D-cysteine,
ZINC2560717,
6829AH,
MFCD00237013,
ACM200354412,
AS-49025,
354F412,
J-012964,
D-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-,
FMOC-D-CYS -OH,
FMOC-CYS(4-MBZL)-OH,
C26H25NO4S,
136050-67-4,
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| Complexity | 613 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 447.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 447.549g/mol |
| Monoisotopic Mass | 447.15g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number