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zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[3-[15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-17-[(2R)-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-12-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]carbonyloxy-10,13-dimethyl-7-oxidanyl-12-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah

Systemtic Name:	zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-[3-[15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-17-[(2R)-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-12-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]carbonyloxy-10,13-dimethyl-7-oxidanyl-12-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah
Openeye Name:	zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[3-[2,8,12,18-tetraethyl-15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-17-[(1R)-4-hydroxy-1-methyl-4-oxo-butyl]-10,13-dimethyl-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]phenyl]-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]benzoyl]oxy-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-
CAS Name:	zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[oxo-[3-[2,8,12,18-tetraethyl-15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-17-[(2R)-5-hydroxy-5-oxopentan-2-yl]-10,13-dimethyl-12-(2,2,2-trifluoro-1-oxoethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethyl]phenyl]-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]methoxy]-12-(2,2,2-trifluoro-1-oxoethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]
IUPAC Name:	zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[3-[2,8,12,18-tetraethyl-15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-17-[(2R)-5-hydroxy-5-oxopentan-2-yl]-10,13-dimethyl-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]phenyl]-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]benzoyl]oxy-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl
Traditional Name:	zinc (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[3-[2,8,12,18-tetraethyl-15-[3-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-17-[(1R)-4-hydroxy-4-keto-1-methyl-butyl]-10,13-dimethyl-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]phenyl]-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]benzoyl]oxy-12-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-
Formula:	C₉₈H₁₁₈F₆N₄O₁₄Zn
MolecularWeight:	1755.403339

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC=C6)C(=O)OC7CCC8(C(C7)CC(C9C8CC(C1(C9CCC1C(C)CCC(=O)O)C)OC(=O)C(F)(F)F)O)C)C)CC)CC)C)C1=CC(=CC=C1)C(=O)OC1CCC2(C(C1)CC(C1C2CC(C2(C1CCC2C(C)CCC(=O)O)C)OC(=O)C(F)(F)F)O)C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC=C6)C(=O)O[C@@H]7CC[C@]8([C@@H](C7)C[C@H]([C@@H]9[C@@H]8C[C@@H]([C@]1([C@H]9CC[C@@H]1[C@H](C)CCC(=O)O)C)OC(=O)C(F)(F)F)O)C)C)CC)CC)C)C1=CC(=CC=C1)C(=O)O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@@H]([C@]2([C@H]1CC[C@@H]2[C@H](C)CCC(=O)O)C)OC(=O)C(F)(F)F)O)C)C.[Zn+2]

InChI

InChI=1S/C98H120F6N4O14.Zn/c1-15-61-49(7)85-81(53-21-19-23-55(37-53)89(115)119-59-33-35-93(11)57(39-59)41-75(109)83-67-29-27-65(47(5)25-31-79(111)112)95(67,13)77(43-69(83)93)121-91(117)97(99,100)101)86-51(9)63(17-3)73(107-86)46-74-64(18-4)52(10)88(108-74)82(87-50(8)62(16-2)72(106-87)45-71(61)105-85)54-22-20-24-56(38-54)90(116)120-60-34-36-94(12)58(40-60)42-76(110)84-68-30-28-66(48(6)26-32-80(113)114)96(68,14)78(44-70(84)94)122-92(118)98(102,103)104;/h19-24,37-38,45-48,57-60,65-70,75-78,83-84,109-110H,15-18,25-36,39-44H2,1-14H3,(H4,105,106,107,108,111,112,113,114);/q;+2/p-2/t47-,48-,57+,58+,59-,60-,65-,66-,67+,68+,69+,70+,75-,76-,77+,78+,83+,84+,93+,94+,95-,96-;/m1./s1

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