3-(4-naphthalen-1-ylphenyl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(4-naphthalen-1-ylphenyl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-[4-(1-naphthyl)phenyl]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-[4-(1-naphthalenyl)phenyl]propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-[4-(1-naphthyl)phenyl]propionic acid Formula: C29H27NO3S MolecularWeight: 469.59458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C29H27NO3S/c31-28(24(19-34)17-20-7-2-1-3-8-20)30-27(29(32)33)18-21-13-15-23(16-14-21)26-12-6-10-22-9-4-5-11-25(22)26/h1-16,24,27,34H,17-19H2,(H,30,31)(H,32,33)