2-azanyl-3-[(3,4-diethylphenyl)-phenyl-methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(3,4-diethylphenyl)-phenyl-methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(3,4-diethylphenyl)-phenyl-methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(3,4-diethylphenyl)-phenylmethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(3,4-diethylphenyl)-phenylmethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(3,4-diethylphenyl)-phenyl-methyl]thio]propionic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)O)N)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)O)N)CC

InChI

InChI=1S/C20H25NO2S/c1-3-14-10-11-17(12-15(14)4-2)19(16-8-6-5-7-9-16)24-13-18(21)20(22)23/h5-12,18-19H,3-4,13,21H2,1-2H3,(H,22,23)