| CAS Number | 147688-40-2 |
| Catalog Number | AG001F3C(AGN-PC-0Q0QPL) |
| Chemical Name | L-Tyrosine, O-[[(2-bromophenyl)methoxy]carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- |
| IUPAC Name | (2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C32H26BrNO7/c33-28-12-6-1-7-21(28)18-40-32(38)41-22-15-13-20(14-16-22)17-29(30(35)36)34-31(37)39-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h1-16,27,29H,17-19H2,(H,34,37)(H,35,36)/t29-/m0/s1 |
| InChI Key | KDNBLNJKURMWNG-LJAQVGFWSA-N |
| MDL Number | MFCD00065683 |
| Molecular Formula | C32H26BrNO7 |
| Molecular Weight | 616.4553 |
| SMILES | BrC1=CC=CC=C1COC(OC2=CC=C(C=C2)C[C@@H](C(O)=O)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O)=O |
| Synonyms | 147688-40-2,
Fmoc-Tyr(2-Br-Z)-OH,
Fmoc-Tyr(2-bromo-Z)-OH,
Fmoc-L-Tyr(2-Br-Z)-OH,
N-Fmoc-O-(2-bromobenzyloxycarbonyl)-L-tyrosine,
O-{[(2-Bromobenzyl)oxy]carbonyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine,
SCHEMBL16634797,
CTK8F0198,
DTXSID80478208,
MFCD00065683,
ZINC71788131,
RT-013005,
FT-0643412,
ST24030726,
C-25130,
J-008389,
L-Tyrosine, O-[[(2-bromophenyl)methoxy]carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-(2-bromobenzyloxycarbonyl)-L-tyrosine,
(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(4-((2-bromobenzyloxy)carbonyloxy)phenyl)propanoic acid,
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| Complexity | 871 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 615.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 616.464g/mol |
| Monoisotopic Mass | 615.089g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number