(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-oxan-4-yl]oxyethanoylamino]butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-oxan-4-yl]oxyethanoylamino]butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(octadecanoylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-[[2-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-oxooctadecylamino)-2-oxanyl]oxy]-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxoethyl]amino]-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(octadecanoylamino)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetyl]amino]butanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-3-stearamido-tetrahydropyran-2-yl]oxy-2-hydroxy-6-methylol-tetrahydropyran-4-yl]oxyacetyl]amino]butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C43H77N5O16 MolecularWeight: 920.09538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OCC(=O)NC(CC)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C)O)CO)CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/C43H77N5O16/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(52)48-34-37(57)36(56)29(23-49)63-43(34)64-38-30(24-50)62-42(60)35(45-26(3)51)39(38)61-25-32(53)46-27(5-2)41(59)47-28(40(44)58)21-22-33(54)55/h27-30,34-39,42-43,49-50,56-57,60H,4-25H2,1-3H3,(H2,44,58)(H,45,51)(H,46,53)(H,47,59)(H,48,52)(H,54,55)/t27-,28+,29+,30+,34+,35+,36+,37+,38+,39+,42+,43-/m0/s1