(2R)-2-[[(2R)-2-[3-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxybutanoylamino]propanoyl]amino]-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]-6-[[(2R)-3-oxidanyl-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propanoyl]amino]hexan-2-yl]amino]pentanoic acid

Systemtic Name: (2R)-2-[[(2R)-2-[3-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxybutanoylamino]propanoyl]amino]-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]-6-[[(2R)-3-oxidanyl-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propanoyl]amino]hexan-2-yl]amino]pentanoic acid Openeye Name: (2R)-2-[[(2R)-2-[3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutanoylamino]propanoyl]amino]-5-[[(1S)-5-[[(2R)-3-hydroxy-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]propanoyl]amino]-1-[[(1S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: (2R)-2-[[(2R)-2-[[3-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxobutyl]amino]-1-oxopropyl]amino]-5-[[(2S)-6-[[(2R)-3-hydroxy-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropyl]amino]-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2R)-2-[[(2R)-2-[3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutanoylamino]propanoyl]amino]-5-[[(2S)-6-[[(2R)-3-hydroxy-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]propanoyl]amino]-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2R)-2-[[(2R)-2-[3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-6-methylol-tetrahydropyran-4-yl]oxybutanoylamino]propanoyl]amino]-5-[[(1S)-5-[[(2R)-3-hydroxy-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]propanoyl]amino]-1-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C46H77N9O24 MolecularWeight: 1140.14948

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)C(CO)NC(C)C(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CO)N[C@H](C)C(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(=O)O)NC(=O)CC(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C

InChI

InChI=1S/C46H77N9O24/c1-18(76-37-33(53-24(7)60)45(75)77-29(17-58)36(37)79-46-32(52-23(6)59)35(64)34(63)28(16-57)78-46)14-31(62)49-19(2)39(66)55-26(44(73)74)11-12-30(61)54-25(41(68)50-20(3)38(65)51-22(5)43(71)72)10-8-9-13-47-40(67)27(15-56)48-21(4)42(69)70/h18-22,25-29,32-37,45-46,48,56-58,63-64,75H,8-17H2,1-7H3,(H,47,67)(H,49,62)(H,50,68)(H,51,65)(H,52,59)(H,53,60)(H,54,61)(H,55,66)(H,69,70)(H,71,72)(H,73,74)/t18?,19-,20+,21-,22+,25+,26-,27-,28-,29-,32-,33-,34-,35-,36-,37-,45+,46+/m1/s1