sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(1,2-oxazol-3-yl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(1,2-oxazol-3-yl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[isoxazol-3-yl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[3-isoxazolyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(1,2-oxazol-3-yl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[isoxazol-3-yl(mesyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C24H26FN4NaO7S MolecularWeight: 556.539013

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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(C3=NOC=C3)S(=O)(=O)C.[Na+]

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(C3=NOC=C3)S(=O)(=O)C.[Na+]

InChI

InChI=1S/C24H27FN4O7S.Na/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(37(3,34)35)20-10-11-36-28-20;/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33);/q;+1/p-1/b9-8+;/t17-,18-;/m1./s1