2-azanyl-4-methylsulfanyl-6-oxidanylidene-2-(2-phenylphenyl)carbonyl-6-(pyridin-2-ylamino)hexanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-oxidanylidene-2-(2-phenylphenyl)carbonyl-6-(pyridin-2-ylamino)hexanoic acid Openeye Name: 2-amino-4-methylsulfanyl-6-oxo-2-(2-phenylbenzoyl)-6-(2-pyridylamino)hexanoic acid CAS Name: 2-amino-4-(methylthio)-6-oxo-2-[oxo-(2-phenylphenyl)methyl]-6-(2-pyridinylamino)hexanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-6-oxo-2-(2-phenylbenzoyl)-6-(pyridin-2-ylamino)hexanoic acid Traditional Name: 2-amino-6-keto-4-(methylthio)-2-(2-phenylbenzoyl)-6-(2-pyridylamino)hexanoic acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(=O)NC1=CC=CC=N1)CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSC(CC(=O)NC1=CC=CC=N1)CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H25N3O4S/c1-33-18(15-22(29)28-21-13-7-8-14-27-21)16-25(26,24(31)32)23(30)20-12-6-5-11-19(20)17-9-3-2-4-10-17/h2-14,18H,15-16,26H2,1H3,(H,31,32)(H,27,28,29)