2-[[2-[(3-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(3-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[(3-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-fluorophenyl)methyl]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-(3-fluorobenzyl)-3-mercapto-propanoyl]amino]acetic acid Formula: C12H14FNO3S MolecularWeight: 271.307863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CC(CS)C(=O)NCC(=O)O

InChI

InChI=1S/C12H14FNO3S/c13-10-3-1-2-8(5-10)4-9(7-18)12(17)14-6-11(15)16/h1-3,5,9,18H,4,6-7H2,(H,14,17)(H,15,16)