| CAS Number | 1013883-02-7 |
| Catalog Number | AG008XDS(AGN-PC-0WBOD7) |
| Chemical Name | FMOC-4-[2-(BOC-AMINO)ETHOXY]-L-PHENYLALANINE |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid |
| InChI | InChI=1S/C31H34N2O7/c1-31(2,3)40-29(36)32-16-17-38-21-14-12-20(13-15-21)18-27(28(34)35)33-30(37)39-19-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,26-27H,16-19H2,1-3H3,(H,32,36)(H,33,37)(H,34,35)/t27-/m0/s1 |
| InChI Key | BQFZEDGXSYOUAW-MHZLTWQESA-N |
| MDL Number | MFCD07781260 |
| Molecular Formula | C31H34N2O7 |
| Molecular Weight | 546.6109 |
| SMILES | O=C(O)[C@H](CC1=CC=C(OCCNC(OC(C)(C)C)=O)C=C1)NC(OCC3C2=CC=CC=C2C4=CC=CC=C34)=O |
| Synonyms | Fmoc-4-[2-(Boc-amino)ethoxy]-L-phenylalanine,
1013883-02-7,
Fmoc-Phe(2-Ae-Boc)-OH,
SCHEMBL2022391,
CTK7G2374,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid,
MFCD07781260,
AKOS015837318,
ZINC100235404,
TR-062097,
A-7530,
Fmoc-4-[2-(Boc-amino)ethoxy]-L-phenylalanine, AldrichCPR,
(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]phenyl]propanoic acid,
(2S)-3-(4-{2-[(tert-butoxycarbonyl)amino]ethoxy}phenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
(2S)-3-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(2S)-3-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid,
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| Complexity | 829 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.62g/mol |
| Monoisotopic Mass | 546.237g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 123A^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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number