2-azanyl-4-methylsulfanyl-2-phenyl-3-(phenylcarbonyl)-5-(pyridin-2-ylamino)pentanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-phenyl-3-(phenylcarbonyl)-5-(pyridin-2-ylamino)pentanoic acid Openeye Name: 2-amino-3-benzoyl-4-methylsulfanyl-2-phenyl-5-(2-pyridylamino)pentanoic acid CAS Name: 2-amino-3-benzoyl-4-(methylthio)-2-phenyl-5-(2-pyridinylamino)pentanoic acid IUPAC Name: 2-amino-3-benzoyl-4-methylsulfanyl-2-phenyl-5-(pyridin-2-ylamino)pentanoic acid Traditional Name: 2-amino-3-benzoyl-4-(methylthio)-2-phenyl-5-(2-pyridylamino)valeric acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CNC1=CC=CC=N1)C(C(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSC(CNC1=CC=CC=N1)C(C(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)(C(=O)O)N

InChI

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