(2S)-4-(2-aminophenyl)-2-azanyl-3-(fluoranylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(2-aminophenyl)-2-azanyl-3-(fluoranylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-(2-aminophenyl)-3-(fluoromethyl)-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-(2-aminophenyl)-3-(fluoromethyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-3-(fluoromethyl)-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-(2-aminophenyl)-3-(fluoromethyl)-4-keto-butyric acid Formula: C11H13FN2O3 MolecularWeight: 240.230923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(CF)C(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(CF)[C@@H](C(=O)O)N)N

InChI

InChI=1S/C11H13FN2O3/c12-5-7(9(14)11(16)17)10(15)6-3-1-2-4-8(6)13/h1-4,7,9H,5,13-14H2,(H,16,17)/t7?,9-/m0/s1