(4S)-5-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl]oxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidan

Systemtic Name: (4S)-5-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl]oxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidan Openeye Name: (4S)-5-[[(1S,2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-tetrahydropyran-2-yl]oxy-1-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethy CAS Name: (4S)-5-[[(2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-5-hydroxy-2-oxanyl]oxy]-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[(carboxymethylamino)-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobut IUPAC Name: (4S)-5-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amin Traditional Name: (4S)-5-[[(1S,2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-tetrahydropyran-2-yl]oxy-1-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-hydroxy- Formula: C64H103N15O34 MolecularWeight: 1626.58272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)NC(=O)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC4=CN=CN4)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NCC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)NCC(=O)O)N)O

InChI

InChI=1S/C64H103N15O34/c1-22(84)40(65)58(104)72-30(10-11-38(90)91)53(99)78-43(25(4)109-64-46(71-28(7)89)52(113-63-45(70-27(6)88)51(98)48(95)36(19-83)111-63)49(96)37(112-64)20-108-62-44(69-26(5)87)50(97)47(94)35(18-82)110-62)60(106)76-41(23(2)85)59(105)75-32(16-80)55(101)73-31(13-29-14-66-21-68-29)54(100)74-33(17-81)56(102)77-42(24(3)86)61(107)79-12-8-9-34(79)57(103)67-15-39(92)93/h14,21-25,30-37,40-52,62-64,80-86,94-98H,8-13,15-20,65H2,1-7H3,(H,66,68)(H,67,103)(H,69,87)(H,70,88)(H,71,89)(H,72,104)(H,73,101)(H,74,100)(H,75,105)(H,76,106)(H,77,102)(H,78,99)(H,90,91)(H,92,93)/t22-,23-,24-,25-,30+,31+,32+,33+,34+,35-,36-,37-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,62-,63+,64+/m1/s1