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Name: (2R,3S)-3-amino-1-[(3-methoxybenzyl)amino]-4-phenyl-2-butanol

IUPAC: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;2,2,2-trifluoroacetic acid

SMILES: COc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.O=C(O)C(F)(F)F

Canonical SMILES: COC1=CC=CC(=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)N)O.C(=O)(C(F)(F)F)O

Molecular formula: C20H23F5N2O4

Molecular weight: 450.40

InChIKey: LCSBZUSJYOALCV-CJRXIRLBSA-N

InChI: InChI=1S/C18H22F2N2O2.C2HF3O2/c1-24-16-4-2-3-12(7-16)10-22-11-18(23)17(21)8-13-5-14(19)9-15(20)6-13;3-2(4,5)1(6)7/h2-7,9,17-18,22-23H,8,10-11,21H2,1H3;(H,6,7)/t17-,18+;/m0./s1

PubChem CID: 69869154 →

Synonyms

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxybenzyl)amino]-2-butanol TrifluoroacetateSCHEMBL6695170

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