2-(phenylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidyl]-2-(trifluoromethyl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidinyl]-2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]-2-(trifluoromethyl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidino]-2-(trifluoromethyl)benzoyl]amino]propionic acid Formula: C26H31F3N6O5S MolecularWeight: 596.62175

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C(F)(F)F)NC4=NCCCN4

Isomeric SMILES

C1CC(CN(C1)C2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C(F)(F)F)NC4=NCCCN4

InChI

InChI=1S/C26H31F3N6O5S/c27-26(28,29)21-14-18(35-13-4-6-17(16-35)33-25-30-11-5-12-31-25)9-10-20(21)23(36)32-15-22(24(37)38)34-41(39,40)19-7-2-1-3-8-19/h1-3,7-10,14,17,22,34H,4-6,11-13,15-16H2,(H,32,36)(H,37,38)(H2,30,31,33)