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[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-1-(1H-imidazol-5-yl)-3-[[(2R,3S,4S)-4-methyl-5-[[(2S,3R)-1-[2-[4-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)

Systemtic Name:	[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-1-(1H-imidazol-5-yl)-3-[[(2R,3S,4S)-4-methyl-5-[[(2S,3R)-1-[2-[4-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)
Openeye Name:	[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(methylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate
CAS Name:	carbamic acid [(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(methylcarbamoyl)-2-thiazolyl]-2-thiazolyl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] ester
IUPAC Name:	[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Traditional Name:	carbamic acid [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-keto-propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(methylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-4-keto-1,3-dimethyl-butyl]amino]-1-(1H-imidazol-5-yl)-3-keto-propoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester
Formula:	C₅₁H₇₅N₁₇O₂₁S₂
MolecularWeight:	1326.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NC)O

Isomeric SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NC)O

InChI

InChI=1S/C51H75N17O21S2/c1-16-29(65-42(68-40(16)54)21(8-27(53)72)60-9-20(52)41(55)78)46(82)67-31(37(22-10-58-15-61-22)87-50-39(35(76)33(74)25(11-69)86-50)88-49-36(77)38(89-51(56)84)34(75)26(12-70)85-49)47(83)62-18(3)32(73)17(2)43(79)66-30(19(4)71)45(81)59-7-6-28-63-24(14-90-28)48-64-23(13-91-48)44(80)57-5/h10,13-15,17-21,25-26,30-39,49-50,60,69-71,73-77H,6-9,11-12,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,84)(H,57,80)(H,58,61)(H,59,81)(H,62,83)(H,66,79)(H,67,82)(H2,54,65,68)/t17-,18+,19+,20-,21-,25-,26+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,49+,50-/m0/s1

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