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3-[3-[3-[8-[1-[3-[[2,2-bis(fluoranyl)-2-(2-nitroimidazol-1-yl)ethanoyl]amino]propoxy]ethyl]-13-[1-[3-[[2,2-bis(fluoranyl)-3-(2-nitroimidazol-1-yl)-1-oxidanyl-propyl]amino]propoxy]ethyl]-18-[3-[3-(2-carboxyethyloxy)propylamino]-3-oxidanylidene-propyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]propoxy]propanoic acid
3-[3-[3-[8-[1-[3-[[2,2-bis(fluoranyl)-2-(2-nitroimidazol-1-yl)ethanoyl]amino]propoxy]ethyl]-13-[1-[3-[[2,2-bis(fluoranyl)-3-(2-nitroimidazol-1-yl)-1-oxidanyl-propyl]amino]propoxy]ethyl]-18-[3-[3-(2-carboxyethyloxy)propylamino]-3-oxidanylidene-propyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]propoxy]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OCCCNC(=O)C(N6C=CN=C6[N+](=O)[O-])(F)F)C)C(=C4CCC(=O)NCCCOCCC(=O)O)C)C(=C3C)CCC(=O)NCCCOCCC(=O)O)C(C)OCCCNC(C(CN7C=CN=C7[N+](=O)[O-])(F)F)O
Isomeric SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OCCCNC(=O)C(N6C=CN=C6[N+](=O)[O-])(F)F)C)C(=C4CCC(=O)NCCCOCCC(=O)O)C)C(=C3C)CCC(=O)NCCCOCCC(=O)O)C(C)OCCCNC(C(CN7C=CN=C7[N+](=O)[O-])(F)F)O
InChI
InChI=1S/C63H80F4N14O16/c1-36-42(11-13-52(82)68-17-7-25-94-29-15-54(84)85)48-34-49-43(12-14-53(83)69-18-8-26-95-30-16-55(86)87)37(2)45(75-49)32-50-57(41(6)96-27-9-19-70-58(88)62(64,65)35-78-23-21-72-60(78)80(90)91)39(4)47(77-50)33-51-56(38(3)46(76-51)31-44(36)74-48)40(5)97-28-10-20-71-59(89)63(66,67)79-24-22-73-61(79)81(92)93/h21-24,31-34,40-41,58,70,76-77,88H,7-20,25-30,35H2,1-6H3,(H,68,82)(H,69,83)(H,71,89)(H,84,85)(H,86,87)
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- (4S)-4-azanyl-5-[[2-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]pentanedioic acid
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- 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-5,10,15,20-tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,23-dihydroporphyrin-2-yl]propanoic acid
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