(2S)-3-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]-2-azaniumyl-propanoate

Systemtic Name: (2S)-3-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]-2-azaniumyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4-carbamoyl-2-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(4-carbamoyl-2-fluorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4-carbamoyl-2-fluorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4-carbamoyl-2-fluoro-benzyl)thio]propionate Formula: C11H13FN2O3S MolecularWeight: 272.295923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)F)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)F)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13FN2O3S/c12-8-3-6(10(14)15)1-2-7(8)4-18-5-9(13)11(16)17/h1-3,9H,4-5,13H2,(H2,14,15)(H,16,17)/t9-/m1/s1