[4-(nitrooxymethyl)phenyl]methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: [4-(nitrooxymethyl)phenyl]methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: [4-(nitrooxymethyl)phenyl]methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid [4-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [4-(nitrooxymethyl)phenyl]methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[mesyl(methyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid [4-(nitrooxymethyl)benzyl] ester Formula: C30H35FN4O9S MolecularWeight: 646.683703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C

InChI

InChI=1S/C30H35FN4O9S/c1-19(2)28-26(29(22-9-11-23(31)12-10-22)33-30(32-28)34(3)45(4,41)42)14-13-24(36)15-25(37)16-27(38)43-17-20-5-7-21(8-6-20)18-44-35(39)40/h5-14,19,24-25,36-37H,15-18H2,1-4H3/b14-13+/t24-,25-/m1/s1