(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoic acid; propan-2-amine

Systemtic Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoic acid; propan-2-amine Openeye Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid; propan-2-amine 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; 2-propanamine IUPAC Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; propan-2-amine 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; isopropylamine Formula: C25H37FN4O6S MolecularWeight: 540.647883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)N

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)N

InChI

InChI=1S/C22H28FN3O6S.C3H9N/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;1-3(2)4/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);3H,4H2,1-2H3/b10-9+;/t16-,17-;/m1./s1