[2-azanyl-3-(4-naphthalen-1-ylphenyl)propanoyl] 2-(phenylmethyl)-3-sulfanyl-propanoate

Systemtic Name: [2-azanyl-3-(4-naphthalen-1-ylphenyl)propanoyl] 2-(phenylmethyl)-3-sulfanyl-propanoate Openeye Name: [2-amino-3-[4-(1-naphthyl)phenyl]propanoyl] 2-benzyl-3-sulfanyl-propanoate CAS Name: 2-(mercaptomethyl)-3-phenylpropanoic acid [2-amino-3-[4-(1-naphthalenyl)phenyl]-1-oxopropyl] ester IUPAC Name: [2-amino-3-(4-naphthalen-1-ylphenyl)propanoyl] 2-benzyl-3-sulfanylpropanoate Traditional Name: 2-benzyl-3-mercapto-propionic acid [2-amino-3-[4-(1-naphthyl)phenyl]propanoyl] ester Formula: C29H27NO3S MolecularWeight: 469.59458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO3S/c30-27(29(32)33-28(31)24(19-34)17-20-7-2-1-3-8-20)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,17-19,30H2