(2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-4-(methylthio)butyrate Formula: C23H26N3O2S- MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)16-11-9-15(10-12-16)20-24-18-8-6-5-7-17(18)21(26-20)25-19(22(27)28)13-14-29-4/h5-12,19H,13-14H2,1-4H3,(H,27,28)(H,24,25,26)/p-1/t19-/m1/s1