(Z)-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(pyridin-3-ylmethoxy)pent-4-enoic acid

Systemtic Name: (Z)-2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(pyridin-3-ylmethoxy)pent-4-enoic acid Openeye Name: (Z)-2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(3-pyridylmethoxy)pent-4-enoic acid CAS Name: (Z)-2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-5-(3-pyridinylmethoxy)-4-pentenoic acid IUPAC Name: (Z)-2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(pyridin-3-ylmethoxy)pent-4-enoic acid Traditional Name: (Z)-2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-5-(3-pyridylmethoxy)pent-4-enoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=COCC1=CN=CC=C1)CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CS/C(=C\OCC1=CN=CC=C1)/CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H24N2O4S/c1-32-20(17-31-16-18-8-7-13-27-15-18)14-25(26,24(29)30)23(28)22-12-6-5-11-21(22)19-9-3-2-4-10-19/h2-13,15,17H,14,16,26H2,1H3,(H,29,30)/b20-17-