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zinc 4-[2-[2,5-didodecoxy-4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl]benzoic acid
zinc 4-[2-[2,5-didodecoxy-4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)C=C5)C1=C(C=C(C=C1C)C)C)[N-]4)OCCCCCCCCCCCC)C#CC1=CC=C(C=C1)C(=O)O.[Zn+2]
Isomeric SMILES
CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)C=C5)C1=C(C=C(C=C1C)C)C)[N-]4)OCCCCCCCCCCCC)C#CC1=CC=C(C=C1)C(=O)O.[Zn+2]
InChI
InChI=1S/C94H103N4O4.Zn/c1-12-14-16-18-20-22-24-26-28-30-52-101-85-61-76(43-37-72-34-40-74(41-35-72)94(99)100)86(102-53-31-29-27-25-23-21-19-17-15-13-2)60-75(85)42-36-71-32-38-73(39-33-71)90-77-44-46-79(95-77)91(87-65(6)54-62(3)55-66(87)7)81-48-50-83(97-81)93(89-69(10)58-64(5)59-70(89)11)84-51-49-82(98-84)92(80-47-45-78(90)96-80)88-67(8)56-63(4)57-68(88)9;/h32-35,38-41,44-51,54-61H,12-31,52-53H2,1-11H3,(H2-,95,96,97,98,99,100);/q-1;+2/p-1
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- (4S)-4-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amin
- (2S,3R,4R,5S,6S)-2-methyl-6-[[(2R,3S,4R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-3,4,5-tris(phenylmethoxy)oxane
- [2-[[(Z)-2-[(3aS,8bS)-8b-[(3aR,8bR)-3-methyl-5-[(Z)-4-[methyl-(4-methylphenyl)sulfonyl-amino]-1-oxidanylidene-1-[(phenylmethyl)-[2-(trifluoromethylsulfonyloxy)phenyl]amino]but-2-en-2-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-4-[methyl-(4-methylphenyl)sulfonyl-amino]but-2-enoyl]-(phenylmethyl)amino]phenyl] tris(fluoranyl)methanesulfonate
- (4S)-4-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidany
- (4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1
- [(2R,3S,4R)-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-3,4-dihydro-2
- [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[5-[3-[bis[3-[5-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxypentylsulfanyl]propyl]-phenyl-silyl]propylsulfanyl]pentoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate
- methyl 2'-[4,5-bis(phenylcarbonyl)-1,3-dithiol-2-ylidene]-1'-ethyl-5,6',7'-tris(phenylcarbonyl)-3'-sulfanylidene-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylate
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