[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoyl]amino]propanoate

Systemtic Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoyl]amino]propanoate Openeye Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propanoate CAS Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-1-oxohept-5-enyl]amino]propanoic acid [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoyl]amino]propanoate Traditional Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propionic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C39H48F2N2O12 MolecularWeight: 774.801426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC)NC(=O)CCCC=CCC2C(CC(C2C=CC(COC3=CC=CC=C3)(F)F)O)O

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC)NC(=O)CCC/C=C\C[C@H]2[C@H](C[C@H]([C@@H]2/C=C/C(COC3=CC=CC=C3)(F)F)O)O

InChI

InChI=1S/C39H48F2N2O12/c1-27(38(48)55-34-18-16-28(24-35(34)51-2)17-19-37(47)52-22-10-11-23-54-43(49)50)42-36(46)15-9-4-3-8-14-30-31(33(45)25-32(30)44)20-21-39(40,41)26-53-29-12-6-5-7-13-29/h3,5-8,12-13,16-21,24,27,30-33,44-45H,4,9-11,14-15,22-23,25-26H2,1-2H3,(H,42,46)/b8-3-,19-17+,21-20+/t27?,30-,31-,32+,33-/m1/s1