2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(pyridin-4-ylamino)pentanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(pyridin-4-ylamino)pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(4-pyridylamino)pentanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-5-(pyridin-4-ylamino)pentanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(pyridin-4-ylamino)pentanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-5-(4-pyridylamino)valeric acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CNC3=CC=NC=C3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CNC3=CC=NC=C3

InChI

InChI=1S/C24H25N3O3S/c1-31-19(16-27-18-11-13-26-14-12-18)15-24(25,23(29)30)22(28)21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14,19H,15-16,25H2,1H3,(H,26,27)(H,29,30)