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

Systemtic Name: 2-azanyl-3-[(4-ethylphenyl)-phenyl-methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(4-ethylphenyl)-phenyl-methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(4-ethylphenyl)-phenylmethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(4-ethylphenyl)-phenylmethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(4-ethylphenyl)-phenyl-methyl]thio]propionic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2S/c1-2-13-8-10-15(11-9-13)17(14-6-4-3-5-7-14)22-12-16(19)18(20)21/h3-11,16-17H,2,12,19H2,1H3,(H,20,21)