English
(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 218608-97-0 |
| Catalog Number | AG00I48Q(AGN-PC-0QYDX3) |
| Chemical Name | Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-,(bS)- |
| IUPAC Name | (3S)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1 |
| InChI Key | KEGMJLZICKHWIR-LBPRGKRZSA-N |
| MDL Number | MFCD01076277 |
| Molecular Formula | C15H20FNO4 |
| Molecular Weight | 297.3220 |
| SMILES | OC(=O)C[C@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C |
| Synonyms |
218608-97-0, (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Boc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid, Boc-(S)-3-amino-4-(4-fluorophenyl)butanoic acid, Boc-4-fluoro-L-beta-homophenylalanine, Boc-(S)-3-amino-4-(4-fluorophenyl)-butyric acid, (S)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid, (S)-3-tert-Butoxycarbonylamino-4-(4-fluoro-phenyl)-butyric acid, Boc-(S)-3-Amino-4-(4-fluorophenyl)butyric acid, (3S)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-fluorophenyl)butanoic acid, (3S)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, AC1MC5A7, Boc-?-Homophe(4-F)-OH, SCHEMBL17050, CTK7I5289, DTXSID50375836, ZINC2572724, ANW-55039, CB-822, MFCD01076277, AKOS015948916, RTR-010247, ACM218608970, AJ-42083, AN-29516, AS-48767, CC-24901, SC-92508, AX8016065, TR-010247, FT-0644002, T57209, 608B970, C-18622, (S)-beta-(Boc-amino)-4-fluorobenzenebutanoic acid, J-014319, (S)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl, (3S)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butyric acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid, (3S)-4-(4-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, CID2761583, BOC- -3-AMINO-4- -BUTYRICACID, (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoicacid, (3R)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-,(bS)-, |
CHI TIẾT :
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.326g/mol |
| Monoisotopic Mass | 297.138g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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