(2S)-3-[(5-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]-2-azanyl-propanoic acid

Systemtic Name: (2S)-3-[(5-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]-2-azanyl-propanoic acid Openeye Name: (2S)-2-amino-3-[(5-carbamoyl-2-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: (2S)-2-amino-3-[(5-carbamoyl-2-fluorophenyl)methylthio]propanoic acid IUPAC Name: (2S)-2-amino-3-[(5-carbamoyl-2-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: (2S)-2-amino-3-[(5-carbamoyl-2-fluoro-benzyl)thio]propionic acid Formula: C11H13FN2O3S MolecularWeight: 272.295923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)CSCC(C(=O)O)N)F

Isomeric SMILES

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

InChI

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