methyl (2S,3S)-3-azanyl-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-2-[4-(4-fluorophenyl)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl (2S,3S)-3-azanyl-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-2-[4-(4-fluorophenyl)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl (2S,3S)-3-amino-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxo-butanoate CAS Name: (2S,3S)-3-amino-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-amino-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutanoate Traditional Name: (2S,3S)-3-amino-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidino]-4-keto-butyric acid methyl ester Formula: C21H22F2N2O3 MolecularWeight: 388.407786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)C2=CC=C(C=C2)F)C(C(=O)N3CCC(C3)F)N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)F)[C@@H](C(=O)N3CC[C@@H](C3)F)N

InChI

InChI=1S/C21H22F2N2O3/c1-28-21(27)18(19(24)20(26)25-11-10-17(23)12-25)15-4-2-13(3-5-15)14-6-8-16(22)9-7-14/h2-9,17-19H,10-12,24H2,1H3/t17-,18-,19-/m0/s1