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

Systemtic Name: [2-azanyl-3-(4-thiophen-2-ylphenyl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanyl-propanoate Openeye Name: [2-amino-3-[4-(2-thienyl)phenyl]propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanyl-propanoate CAS Name: 2-[(3-bromophenyl)methyl]-3-mercaptopropanoic acid [2-amino-1-oxo-3-(4-thiophen-2-ylphenyl)propyl] ester IUPAC Name: [2-amino-3-(4-thiophen-2-ylphenyl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanylpropanoate Traditional Name: 2-(3-bromobenzyl)-3-mercapto-propionic acid [2-amino-3-[4-(2-thienyl)phenyl]propanoyl] ester Formula: C23H22BrNO3S2 MolecularWeight: 504.45968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO3S2/c24-19-4-1-3-16(12-19)11-18(14-29)22(26)28-23(27)20(25)13-15-6-8-17(9-7-15)21-5-2-10-30-21/h1-10,12,18,20,29H,11,13-14,25H2