N-[6-[[1-[5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]hexyl]-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Systemtic Name: N-[6-[[1-[5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]hexyl]-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Openeye Name: N-[6-[[1-[3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]hexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide CAS Name: N-[6-[[1-[3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxolanyl]-2-oxo-4-pyrimidinyl]amino]hexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide IUPAC Name: N-[6-[[1-[3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]hexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Traditional Name: N-[6-[[1-[3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]amino]hexyl]-5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeramide Formula: C45H56N6O8S MolecularWeight: 841.02654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=NC5=O)NCCCCCCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=NC5=O)NCCCCCCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)O)O

InChI

InChI=1S/C45H56N6O8S/c1-57-33-22-20-32(21-23-33)45(30-14-6-4-7-15-30,31-16-8-5-9-17-31)58-28-35-40(53)41(54)42(59-35)51-27-24-37(49-44(51)56)46-25-12-2-3-13-26-47-38(52)19-11-10-18-36-39-34(29-60-36)48-43(55)50-39/h4-9,14-17,20-24,27,34-36,39-42,53-54H,2-3,10-13,18-19,25-26,28-29H2,1H3,(H,47,52)(H,46,49,56)(H2,48,50,55)