(3R,5R)-7-[5-(4-ethylpiperazin-1-yl)carbonyl-3,4-bis(4-fluorophenyl)-1-propan-2-yl-pyrrol-2-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: (3R,5R)-7-[5-(4-ethylpiperazin-1-yl)carbonyl-3,4-bis(4-fluorophenyl)-1-propan-2-yl-pyrrol-2-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3R,5R)-7-[5-(4-ethylpiperazine-1-carbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-pyrrol-2-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3R,5R)-7-[5-[(4-ethyl-1-piperazinyl)-oxomethyl]-3,4-bis(4-fluorophenyl)-1-propan-2-yl-2-pyrrolyl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3R,5R)-7-[5-(4-ethylpiperazine-1-carbonyl)-3,4-bis(4-fluorophenyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3R,5R)-7-[5-(4-ethylpiperazine-1-carbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-pyrrol-2-yl]-3,5-dihydroxy-enanthic acid Formula: C33H41F2N3O5 MolecularWeight: 597.692546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C(=C(N2C(C)C)CCC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C(=C(N2C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C33H41F2N3O5/c1-4-36-15-17-37(18-16-36)33(43)32-31(23-7-11-25(35)12-8-23)30(22-5-9-24(34)10-6-22)28(38(32)21(2)3)14-13-26(39)19-27(40)20-29(41)42/h5-12,21,26-27,39-40H,4,13-20H2,1-3H3,(H,41,42)/t26-,27-/m1/s1