3-phenyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(sulfanylmethyl)tetralin-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[2-(mercaptomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[2-(mercaptomethyl)tetralin-2-carbonyl]amino]-3-phenyl-propionic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2=CC=CC=C21)(CS)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CC2=CC=CC=C21)(CS)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23NO3S/c23-19(24)18(12-15-6-2-1-3-7-15)22-20(25)21(14-26)11-10-16-8-4-5-9-17(16)13-21/h1-9,18,26H,10-14H2,(H,22,25)(H,23,24)