| CAS Number | 186829-25-4 |
| Catalog Number | AG00ACON(AGN-PC-0O5LFO) |
| Chemical Name | (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(9H-xanthen-9-ylsulfanyl)propanoic acid |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid |
| InChI | InChI=1S/C31H25NO5S/c33-30(34)26(18-38-29-23-13-5-7-15-27(23)37-28-16-8-6-14-24(28)29)32-31(35)36-17-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,29H,17-18H2,(H,32,35)(H,33,34)/t26-/m0/s1 |
| InChI Key | XTSQGWFHHHZCOH-SANMLTNESA-N |
| MDL Number | MFCD01862337 |
| Molecular Formula | C31H25NO5S |
| Molecular Weight | 523.5989 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CSC4C5=C(OC6=C4C=CC=C6)C=CC=C5 |
| Synonyms | 186829-25-4,
Fmoc-Cys(Xan)-OH,
Fmoc-S-xanthyl-L-cysteine,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((9H-xanthen-9-yl)thio)propanoic acid,
CTK8F9915,
DTXSID40442304,
ZINC2386612,
MFCD01862337,
ACM186829254,
AJ-35359,
AX8130970,
RT-013042,
J-012013,
N-(9H-Fluoren-9-ylmethoxycarbonyl)-S-(9H-xanthen-9-yl)cysteine,
L-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-s-9H-xanthen-9-yl-,
N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-S-9H-xanthen-9-yl-L-cysteine,
(2R)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-(9H-XANTHEN-9-YLSULFANYL)PROPANOIC ACID,
XTSQGWFHHHZCOH-SANMLTNESA-N,
CID10602128,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic Acid,
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| Complexity | 795 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.603g/mol |
| Monoisotopic Mass | 523.145g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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