2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridyl]amino]benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridinyl]amino]phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridyl]amino]benzoyl]butyric acid Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NC2=C(C=CC=N2)C=S(=O)=O)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NC2=C(C=CC=N2)C=S(=O)=O)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H23N3O5S2/c1-33-13-11-24(25,23(29)30)21(28)19-10-9-18(14-20(19)16-6-3-2-4-7-16)27-22-17(15-34(31)32)8-5-12-26-22/h2-10,12,14-15H,11,13,25H2,1H3,(H,26,27)(H,29,30)