[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-azanyl-4-oxidanylidene-butanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl phosphate

Systemtic Name: [(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-azanyl-4-oxidanylidene-butanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl phosphate Openeye Name: [(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-amino-4-oxo-butanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl phosphate CAS Name: [(2R,3S,4S,5S,6S)-6-[[(2R,3S,4R,5S,6S)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-amino-1,4-dioxobutyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl phosphate IUPAC Name: [(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-amino-4-oxobutanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl phosphate Traditional Name: [(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[[(3S)-3-acetamido-4-amino-4-keto-butanoyl]amino]-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl phosphate Formula: C34H56N5O26P-2 MolecularWeight: 981.800101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)N)NC(=O)C)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)COP(=O)([O-])[O-])O)O)O)O)O)O)NC(=O)C)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O)O)O)O)O

InChI

InChI=1S/C34H58N5O26P/c1-9(43)36-12(30(35)54)4-17(46)39-31-18(37-10(2)44)21(48)27(13(5-40)59-31)63-32-19(38-11(3)45)22(49)28(14(6-41)60-32)64-34-26(53)24(51)29(15(7-42)61-34)65-33-25(52)23(50)20(47)16(62-33)8-58-66(55,56)57/h12-16,18-29,31-34,40-42,47-53H,4-8H2,1-3H3,(H2,35,54)(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H2,55,56,57)/p-2/t12-,13+,14+,15+,16+,18+,19+,20+,21+,22+,23-,24+,25-,26-,27+,28+,29+,31?,32-,33-,34-/m0/s1