2-azanyl-3-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSCC(C(=O)O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSCC(C(=O)O)N)F

InChI

InChI=1S/C13H17FN2O3S/c1-8-2-3-9(4-10(8)14)5-16-12(17)7-20-6-11(15)13(18)19/h2-4,11H,5-7,15H2,1H3,(H,16,17)(H,18,19)