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

Systemtic Name: [2-azanyl-3-(4-thiophen-2-ylphenyl)propanoyl] 2-(phenylmethyl)-3-sulfanyl-propanoate Openeye Name: [2-amino-3-[4-(2-thienyl)phenyl]propanoyl] 2-benzyl-3-sulfanyl-propanoate CAS Name: 2-(mercaptomethyl)-3-phenylpropanoic acid [2-amino-1-oxo-3-(4-thiophen-2-ylphenyl)propyl] ester IUPAC Name: [2-amino-3-(4-thiophen-2-ylphenyl)propanoyl] 2-benzyl-3-sulfanylpropanoate Traditional Name: 2-benzyl-3-mercapto-propionic acid [2-amino-3-[4-(2-thienyl)phenyl]propanoyl] ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

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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=CS3)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)OC(=O)C(CC2=CC=C(C=C2)C3=CC=CS3)N

InChI

InChI=1S/C23H23NO3S2/c24-20(14-17-8-10-18(11-9-17)21-7-4-12-29-21)23(26)27-22(25)19(15-28)13-16-5-2-1-3-6-16/h1-12,19-20,28H,13-15,24H2