2-[(2,4-dichlorophenyl)carbonyl-[(4-pyridin-4-ylthiophen-2-yl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[(4-pyridin-4-ylthiophen-2-yl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[[4-(4-pyridyl)-2-thienyl]methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[(4-pyridin-4-yl-2-thiophenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[(4-pyridin-4-ylthiophen-2-yl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[[4-(4-pyridyl)-2-thienyl]methyl]amino]-3-phenyl-propionic acid Formula: C26H20Cl2N2O3S MolecularWeight: 511.4196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CS2)C3=CC=NC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CS2)C3=CC=NC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H20Cl2N2O3S/c27-20-6-7-22(23(28)14-20)25(31)30(24(26(32)33)12-17-4-2-1-3-5-17)15-21-13-19(16-34-21)18-8-10-29-11-9-18/h1-11,13-14,16,24H,12,15H2,(H,32,33)