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copper 3-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-[4-azanyl-6-[[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-[6-(hydroxymethyl)-3-[6-(hydroxymethyl)-4-(C-oxidanidylcarbonimidoyl)oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-pyrimidin-2-yl]propanimidat

copper 3-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-[4-azanyl-6-[[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-[6-(hydroxymethyl)-3-[6-(hydroxymethyl)-4-(C-oxidanidylcarbonimidoyl)oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-pyrimidin-2-yl]propanimidat

Systemtic Name:copper 3-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-[4-azanyl-6-[[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-[6-(hydroxymethyl)-3-[6-(hydroxymethyl)-4-(C-oxidanidylcarbonimidoyl)oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-pyrimidin-2-yl]propanimidat
Openeye Name:copper 3-[4-amino-6-[[1-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(oxidocarbonimidoyl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(1H-imidazol-5-yl)methyl]-2-[[4-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1,3-dimethyl-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]-5-methyl-pyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxido-propyl)amino]propanimidate
CAS Name:copper 3-[4-amino-6-[[[1-[[3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[imino(oxido)methoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[5-[[1-[2-[4-[4-[(3-dimethylsulfoniopropylamino)-oxomethyl]-2-thiazolyl]-2-thiazolyl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-oxomethyl]-5-methyl-2-pyrimidinyl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate
IUPAC Name:copper 3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate
Traditional Name:cupric 3-[4-amino-6-[[1-[[3-[3,5-dihydroxy-6-methylol-4-(oxidocarbonimidoyl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-(1H-imidazol-5-yl)methyl]-2-[[4-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-4-keto-1,3-dimethyl-butyl]amino]-2-keto-ethyl]carbamoyl]-5-methyl-pyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxido-propyl)amino]propionimidate
Formula: C55H81CuN17O21S3
MolecularWeight: 1476.07394
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.[Cu+2]


Isomeric SMILES

CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.[Cu+2]


InChI

InChI=1S/C55H83N17O21S3.Cu/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);/q;+2/p-2


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Name: copper 3-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-[4-azanyl-6-[[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-[6-(hydroxymethyl)-3-[6-(hydroxymethyl)-4-(C-oxidanidylcarbonimidoyl)oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-pyrimidin-2-yl]propanimidat

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