2-azanyl-2-[2-[2-(2-methylphenyl)phenyl]phenyl]carbonyl-4-methylsulfanyl-5-(pyridin-3-ylamino)pentanoic acid

Systemtic Name: 2-azanyl-2-[2-[2-(2-methylphenyl)phenyl]phenyl]carbonyl-4-methylsulfanyl-5-(pyridin-3-ylamino)pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-[2-(o-tolyl)phenyl]benzoyl]-5-(3-pyridylamino)pentanoic acid CAS Name: 2-amino-2-[[2-[2-(2-methylphenyl)phenyl]phenyl]-oxomethyl]-4-(methylthio)-5-(3-pyridinylamino)pentanoic acid IUPAC Name: 2-amino-2-[2-[2-(2-methylphenyl)phenyl]benzoyl]-4-methylsulfanyl-5-(pyridin-3-ylamino)pentanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-[2-(o-tolyl)phenyl]benzoyl]-5-(3-pyridylamino)valeric acid Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)C(CC(CNC4=CN=CC=C4)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)C(CC(CNC4=CN=CC=C4)SC)(C(=O)O)N

InChI

InChI=1S/C31H31N3O3S/c1-21-10-3-4-12-24(21)25-13-5-6-14-26(25)27-15-7-8-16-28(27)29(35)31(32,30(36)37)18-23(38-2)20-34-22-11-9-17-33-19-22/h3-17,19,23,34H,18,20,32H2,1-2H3,(H,36,37)