4-methylsulfanyl-2-[[2-phenyl-4-[(phenylmethyl)-pyridin-3-yl-sulfamoyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(phenylmethyl)-pyridin-3-yl-sulfamoyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[benzyl(3-pyridyl)sulfamoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(phenylmethyl)-(3-pyridinyl)sulfamoyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 2-[[4-[benzyl(pyridin-3-yl)sulfamoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[benzyl(3-pyridyl)sulfamoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H29N3O5S2 MolecularWeight: 575.69836

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H29N3O5S2/c1-39-18-16-28(30(35)36)32-29(34)26-15-14-25(19-27(26)23-11-6-3-7-12-23)40(37,38)33(24-13-8-17-31-20-24)21-22-9-4-2-5-10-22/h2-15,17,19-20,28H,16,18,21H2,1H3,(H,32,34)(H,35,36)