| CAS Number | 75179-29-2 |
| Catalog Number | AG00G2Y9(AGN-PC-0U6RUH) |
| Chemical Name | Boc-Cys(Trt)-OSu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoate |
| InChI | InChI=1S/C31H32N2O6S/c1-30(2,3)38-29(37)32-25(28(36)39-33-26(34)19-20-27(33)35)21-40-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,32,37)/t25-/m0/s1 |
| InChI Key | JIXAKJALBJDZTP-VWLOTQADSA-N |
| MDL Number | MFCD00235843 |
| Molecular Formula | C31H32N2O6S |
| Molecular Weight | 560.6606 |
| SMILES | O=C(ON1C(CCC1=O)=O)[C@@H](NC(OC(C)(C)C)=O)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonyms | BOC-CYS(TRT)-OSU,
75179-29-2,
AK170142,
SCHEMBL8357442,
KS-00000FSP,
JIXAKJALBJDZTP-VWLOTQADSA-N,
MFCD00235843,
AKOS015841312,
ZINC100221312,
DS-9766,
Boc-S-trityl-L-cysteine N-hydroxysuccinimide ester,
N-alpha-t-Butyloxycarbonyl-S-trityl-L-cysteine succinimidyl ester,
(R)-2,5-dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoate,
L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-(triphenylmethyl)-, 2,5-dioxo-1-pyrrolidinylester,
Boc-Cys(Trt)-OSu, 98% - 1G 1g,
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| Complexity | 838 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 560.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 560.665g/mol |
| Monoisotopic Mass | 560.198g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number