3-methyl-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]methylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[[[4-(methylthio)phenyl]-oxomethyl]amino]phenyl]methylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[[4-(methylthio)benzoyl]amino]benzyl]amino]butyric acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H24N2O3S/c1-13(2)18(20(24)25)21-12-14-4-8-16(9-5-14)22-19(23)15-6-10-17(26-3)11-7-15/h4-11,13,18,21H,12H2,1-3H3,(H,22,23)(H,24,25)