| CAS Number | 944797-51-7 |
| Catalog Number | AG00IMQ5(AGN-PC-0WAN8Y) |
| Chemical Name | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tritylthio)propanoic acid |
| IUPAC Name | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-tritylsulfanylpropanoic acid |
| InChI | InChI=1S/C38H33NO4S/c1-39(37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)35(36(40)41)26-44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34-35H,25-26H2,1H3,(H,40,41)/t35-/m0/s1 |
| InChI Key | RAKOPMQMPUNRGI-DHUJRADRSA-N |
| MDL Number | MFCD11973909 |
| Molecular Formula | C38H33NO4S |
| Molecular Weight | 599.7379 |
| SMILES | O=C(O)[C@H](CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C1=CC=CC=C1)N(C(OCC5C4=C(C6=C5C=CC=C6)C=CC=C4)=O)C |
| Synonyms | 944797-51-7,
Fmoc-N-Me-L-Cys(Trt)-OH,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tritylthio)propanoic acid,
Fmoc-N-Methyl-l-cysteine(trt),
Fmoc-N-Me-Cys(Trt)-OH,
SCHEMBL4409339,
TMA062,
MFCD11973909,
AKOS027326715,
ZINC100048991,
AS-17236,
CS-0089852,
M-3790,
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-S-trityl-L-cysteine,
C38H33NO4S,
RAKOPMQMPUNRGI-DHUJRADRSA-N,
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| Complexity | 872 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 599.745g/mol |
| Monoisotopic Mass | 599.213g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.2 |
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