| CAS Number | 247595-29-5 |
| Catalog Number | AG00BCV9(AGN-PC-0WC250) |
| Chemical Name | FMOC-S-DIPHENYLMETHYL-L-CYSTEINE |
| IUPAC Name | (2R)-3-benzhydrylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C31H27NO4S/c33-30(34)28(20-37-29(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-29H,19-20H2,(H,32,35)(H,33,34)/t28-/m0/s1 |
| InChI Key | IVPLDYIPIHKRET-NDEPHWFRSA-N |
| MDL Number | MFCD02682541 |
| Molecular Formula | C31H27NO4S |
| Molecular Weight | 509.6154 |
| SMILES | O=C(O)[C@H](CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O |
| Synonyms | fmoc-cys(dpm)-oh,
247595-29-5,
FMOC-S-DIPHENYLMETHYL-L-CYSTEINE,
CTK7G2384,
KS-00000J8B,
ZINC2583245,
MFCD02682541,
AKOS025289369,
DS-9752,
TR-062057,
FT-0698086,
(2R)-3-[(diphenylmethyl)sulfanyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
ACN-033143,
|
| Complexity | 710 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 509.62g/mol |
| Monoisotopic Mass | 509.166g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number