calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-(5-methyl-2-furyl)-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate CAS Name: calcium (3R,5R)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-(5-methyl-2-furanyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate Traditional Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-(5-methyl-2-furyl)-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthate Formula: C64H68CaF2N4O12 MolecularWeight: 1163.319126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.CC1=CC=C(O1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]

Isomeric SMILES

CC1=CC=C(O1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F.CC1=CC=C(O1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]

InChI

InChI=1S/2C32H35FN2O6.Ca/c2*1-19(2)30-29(32(40)34-23-7-5-4-6-8-23)28(26-14-9-20(3)41-26)31(21-10-12-22(33)13-11-21)35(30)16-15-24(36)17-25(37)18-27(38)39;/h2*4-14,19,24-25,36-37H,15-18H2,1-3H3,(H,34,40)(H,38,39);/q;;+2/p-2/t2*24-,25-;/m11./s1