calcium 7-[5-(4-fluorophenyl)-4-phenyl-3-(phenylcarbamoyl)-2-propan-2-yl-2,3-dihydropyrrol-1-yl]-2-oxidanidyl-2-oxidanyl-heptanoate

Systemtic Name: calcium 7-[5-(4-fluorophenyl)-4-phenyl-3-(phenylcarbamoyl)-2-propan-2-yl-2,3-dihydropyrrol-1-yl]-2-oxidanidyl-2-oxidanyl-heptanoate Openeye Name: calcium 7-[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydropyrrol-1-yl]-2-hydroxy-2-oxido-heptanoate CAS Name: calcium 7-[3-[anilino(oxo)methyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-2,3-dihydropyrrol-1-yl]-2-hydroxy-2-oxidoheptanoate IUPAC Name: calcium 7-[5-(4-fluorophenyl)-4-phenyl-3-(phenylcarbamoyl)-2-propan-2-yl-2,3-dihydropyrrol-1-yl]-2-hydroxy-2-oxidoheptanoate Traditional Name: calcium 7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-2-pyrrolin-1-yl]-2-hydroxy-2-oxido-enanthate Formula: C33H35CaFN2O5 MolecularWeight: 598.717803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=C(N1CCCCCC(C(=O)[O-])(O)[O-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]

Isomeric SMILES

CC(C)C1C(C(=C(N1CCCCCC(C(=O)[O-])(O)[O-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]

InChI

InChI=1S/C33H36FN2O5.Ca/c1-22(2)29-28(31(37)35-26-14-8-4-9-15-26)27(23-12-6-3-7-13-23)30(24-16-18-25(34)19-17-24)36(29)21-11-5-10-20-33(40,41)32(38)39;/h3-4,6-9,12-19,22,28-29,40H,5,10-11,20-21H2,1-2H3,(H,35,37)(H,38,39);/q-1;+2/p-1