2-[6-oxidanylidene-2-phenyl-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]-N-[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-phenyl-7-pyridin-2-yloxy-heptan-2-yl]ethanamide

Systemtic Name: 2-[6-oxidanylidene-2-phenyl-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]-N-[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-phenyl-7-pyridin-2-yloxy-heptan-2-yl]ethanamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-6-(2-pyridyloxy)hexyl]-2-[5-(benzylsulfonylamino)-6-oxo-2-phenyl-pyrimidin-1-yl]acetamide CAS Name: N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-7-(2-pyridinyloxy)heptan-2-yl]-2-[6-oxo-2-phenyl-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: 2-[5-(benzylsulfonylamino)-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-7-pyridin-2-yloxyheptan-2-yl]acetamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-keto-6-(2-pyridyloxy)hexyl]-2-[5-(benzylsulfonylamino)-6-keto-2-phenyl-pyrimidin-1-yl]acetamide Formula: C37H37N5O7S MolecularWeight: 695.78398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)CCCOC2=CC=CC=N2)O)NC(=O)CN3C(=NC=C(C3=O)NS(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](C(=O)CCCOC2=CC=CC=N2)O)NC(=O)CN3C(=NC=C(C3=O)NS(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H37N5O7S/c43-32(19-12-22-49-34-20-10-11-21-38-34)35(45)30(23-27-13-4-1-5-14-27)40-33(44)25-42-36(29-17-8-3-9-18-29)39-24-31(37(42)46)41-50(47,48)26-28-15-6-2-7-16-28/h1-11,13-18,20-21,24,30,35,41,45H,12,19,22-23,25-26H2,(H,40,44)/t30-,35+/m0/s1