2-(phenylsulfonylamino)-3-[[3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[[3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[3-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[3-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[3-[4-[(2-pyrimidylamino)methyl]piperidino]benzoyl]amino]propionic acid Formula: C26H30N6O5S MolecularWeight: 538.6186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O5S/c33-24(29-18-23(25(34)35)31-38(36,37)22-8-2-1-3-9-22)20-6-4-7-21(16-20)32-14-10-19(11-15-32)17-30-26-27-12-5-13-28-26/h1-9,12-13,16,19,23,31H,10-11,14-15,17-18H2,(H,29,33)(H,34,35)(H,27,28,30)