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5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide

Systemtic Name:	5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
Openeye Name:	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
CAS Name:	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)-3-diazirinyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
IUPAC Name:	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
Traditional Name:	5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[[(E)-[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-ylidene]amino]oxymethyl]-5-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]valeramide
Formula:	C₅₃H₈₁F₃N₆O₁₀S
MolecularWeight:	1051.30465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=NOCC4=C(C=C(C=C4)C5(N=N5)C(F)(F)F)OCCOCCOCCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C8C3(CC(C(C8)O)O)C)C)O)O

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C/C(=N\OCC4=C(C=C(C=C4)C5(N=N5)C(F)(F)F)OCCOCCOCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)/[C@@H]8[C@@]3(C[C@H]([C@H](C8)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

InChI

InChI=1S/C53H81F3N6O10S/c1-29(2)30(3)47(66)48(67)31(4)35-13-14-36-34-24-39(38-25-41(63)42(64)26-51(38,6)37(34)15-16-50(35,36)5)60-72-27-32-11-12-33(52(61-62-52)53(54,55)56)23-43(32)71-22-21-70-20-19-69-18-17-57-45(65)10-8-7-9-44-46-40(28-73-44)58-49(68)59-46/h11-12,23,29-31,34-38,40-42,44,46-48,63-64,66-67H,7-10,13-22,24-28H2,1-6H3,(H,57,65)(H2,58,59,68)/b60-39+/t30-,31-,34-,35+,36-,37-,38+,40-,41-,42+,44-,46-,47+,48+,50+,51+/m0/s1

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