| CAS Number | 82911-79-3 |
| Catalog Number | AG00G5OS(AGN-PC-0OIRBQ) |
| Chemical Name | methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate |
| IUPAC Name | methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate |
| InChI | InChI=1S/C25H23NO5/c1-30-24(28)23(14-16-10-12-17(27)13-11-16)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23,27H,14-15H2,1H3,(H,26,29)/t23-/m0/s1 |
| InChI Key | NWIXWDJMIUGINH-QHCPKHFHSA-N |
| MDL Number | MFCD16037899 |
| Molecular Formula | C25H23NO5 |
| Molecular Weight | 417.4538 |
| SMILES | O=C(OC)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(O)C=C4 |
| Synonyms | 82911-79-3,
(S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoate,
Fmoc-Tyr-OMe,
AK131101,
SCHEMBL7984402,
KS-00000RFP,
N-fmoc-(l)-tyrosine methyl ester,
MFCD11044348,
ZINC95093155,
AKOS016014614,
DS-6847,
AJ-132249,
AX8252024,
CS-0040950,
FT-0774444,
N-(9H-Fluorene-9-ylmethoxycarbonyl)tyrosine methyl ester,
METHYL (2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-(4-HYDROXYPHENYL)PROPANOATE,
CID10884245,
Methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate,
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| Complexity | 595 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.461g/mol |
| Monoisotopic Mass | 417.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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