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

Systemtic Name: 3-[[3-fluoranyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[3-fluoro-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidino]benzoyl]amino]propionic acid Formula: C25H31FN6O5S MolecularWeight: 546.614243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NCCCN2)C3=C(C=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(C(C1)NC2=NCCCN2)C3=C(C=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C25H31FN6O5S/c26-19-15-17(10-11-21(19)32-14-5-4-9-22(32)30-25-27-12-6-13-28-25)23(33)29-16-20(24(34)35)31-38(36,37)18-7-2-1-3-8-18/h1-3,7-8,10-11,15,20,22,31H,4-6,9,12-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)