2-azanyl-3-[2-(phenylmethylsulfanyl)carbonylphenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(phenylmethylsulfanyl)carbonylphenyl]propanoic acid Openeye Name: 2-amino-3-(2-benzylsulfanylcarbonylphenyl)propanoic acid CAS Name: 2-amino-3-[2-[oxo-(phenylmethylthio)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-(2-benzylsulfanylcarbonylphenyl)propanoic acid Traditional Name: 2-amino-3-[2-(benzylthio)carbonylphenyl]propionic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2CC(C(=O)O)N

InChI

InChI=1S/C17H17NO3S/c18-15(16(19)20)10-13-8-4-5-9-14(13)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,20)