(2R)-3-[[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-aminocarbonyl-4-aminocarbonyloxy-3-oxidanyl-oxan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid

Systemtic Name: (2R)-3-[[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-aminocarbonyl-4-aminocarbonyloxy-3-oxidanyl-oxan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid Openeye Name: (2R)-3-[[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-3-hydroxy-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid CAS Name: (2R)-3-[[(2R,3R,4R,5S,6S)-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-carbamoyl-4-carbamoyloxy-3-hydroxy-2-oxanyl]oxy-hydroxyphosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid IUPAC Name: (2R)-3-[[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-3-hydroxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid Traditional Name: (2R)-3-[[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-3-hydroxy-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propionic acid Formula: C43H80N3O18P MolecularWeight: 958.078361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC(C)CCC(C)(C)CCCCC(C)CCOC(COP(=O)(O)OC1C(C(C(C(O1)C(=O)N)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)OC(=O)N)O)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)CCC(C)CCC(C)(C)CCCCC(C)CCO[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)OC(=O)N)O)C(=O)O

InChI

InChI=1S/C43H80N3O18P/c1-24(2)12-11-14-25(3)15-16-27(5)17-20-43(7,8)19-10-9-13-26(4)18-21-58-30(39(53)54)23-59-65(56,57)64-41-34(51)35(63-42(45)55)36(37(62-41)38(44)52)61-40-31(46-28(6)48)33(50)32(49)29(22-47)60-40/h24-27,29-37,40-41,47,49-51H,9-23H2,1-8H3,(H2,44,52)(H2,45,55)(H,46,48)(H,53,54)(H,56,57)/t25?,26?,27?,29-,30-,31-,32-,33-,34-,35-,36+,37+,40+,41-/m1/s1