[(2S,3S)-3-[4-[4-[4-[3-[[(3R,5R)-5-[2,4-bis(fluoranyl)phenyl]-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]pentan-2-yl] 4-oxidanylbutanoate

Systemtic Name: [(2S,3S)-3-[4-[4-[4-[3-[[(3R,5R)-5-[2,4-bis(fluoranyl)phenyl]-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]pentan-2-yl] 4-oxidanylbutanoate Openeye Name: [(1S,2S)-2-[4-[4-[4-[3-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]-1-methyl-butyl] 4-hydroxybutanoate CAS Name: 4-hydroxybutanoic acid [(2S,3S)-3-[4-[4-[4-[3-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-3-oxolanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] ester IUPAC Name: [(2S,3S)-3-[4-[4-[4-[3-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-hydroxybutanoate Traditional Name: 4-hydroxybutyric acid [(1S,2S)-2-[4-[4-[4-[3-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazino]phenyl]-5-keto-1,2,4-triazol-1-yl]-1-methyl-butyl] ester Formula: C41H48F2N8O6 MolecularWeight: 786.866626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC(=O)CCCO)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Isomeric SMILES

CC[C@@H]([C@H](C)OC(=O)CCCO)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChI

InChI=1S/C41H48F2N8O6/c1-3-38(29(2)57-39(53)8-5-19-52)51-40(54)50(28-46-51)33-12-10-32(11-13-33)47-15-17-48(18-16-47)34-6-4-7-35(21-34)55-23-30-22-41(56-24-30,25-49-27-44-26-45-49)36-14-9-31(42)20-37(36)43/h4,6-7,9-14,20-21,26-30,38,52H,3,5,8,15-19,22-25H2,1-2H3/t29-,30+,38-,41-/m0/s1