3-methylbutyl 2-[[4-[methyl(pyridin-3-yl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 3-methylbutyl 2-[[4-[methyl(pyridin-3-yl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopentyl 2-[[4-[methyl(3-pyridyl)amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[methyl(3-pyridinyl)amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[[4-[methyl(pyridin-3-yl)amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[methyl(3-pyridyl)amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid isoamyl ester Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N(C)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N(C)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H35N3O3S/c1-21(2)14-17-35-29(34)27(15-18-36-4)31-28(33)25-13-12-23(32(3)24-11-8-16-30-20-24)19-26(25)22-9-6-5-7-10-22/h5-13,16,19-21,27H,14-15,17-18H2,1-4H3,(H,31,33)