2-[[4-(2-azanylpyridin-3-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(2-azanylpyridin-3-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(2-amino-3-pyridyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(2-amino-3-pyridinyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2-aminopyridin-3-yl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(2-amino-3-pyridyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C2=C(N=CC=C2)N)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C2=C(N=CC=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3S/c1-30-13-11-20(23(28)29)26-22(27)18-10-9-16(17-8-5-12-25-21(17)24)14-19(18)15-6-3-2-4-7-15/h2-10,12,14,20H,11,13H2,1H3,(H2,24,25)(H,26,27)(H,28,29)