[2-azanyl-3-[4-(4-methoxyphenyl)phenyl]propanoyl] 2-(phenylmethyl)-3-sulfanyl-propanoate

Systemtic Name: [2-azanyl-3-[4-(4-methoxyphenyl)phenyl]propanoyl] 2-(phenylmethyl)-3-sulfanyl-propanoate Openeye Name: [2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoyl] 2-benzyl-3-sulfanyl-propanoate CAS Name: 2-(mercaptomethyl)-3-phenylpropanoic acid [2-amino-3-[4-(4-methoxyphenyl)phenyl]-1-oxopropyl] ester IUPAC Name: [2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoyl] 2-benzyl-3-sulfanylpropanoate Traditional Name: 2-benzyl-3-mercapto-propionic acid [2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoyl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)OC(=O)C(CC3=CC=CC=C3)CS)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)OC(=O)C(CC3=CC=CC=C3)CS)N

InChI

InChI=1S/C26H27NO4S/c1-30-23-13-11-21(12-14-23)20-9-7-19(8-10-20)16-24(27)26(29)31-25(28)22(17-32)15-18-5-3-2-4-6-18/h2-14,22,24,32H,15-17,27H2,1H3