(2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-oxidanyl-oxan-2-yl]methoxy]-3-cyclohexyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-oxidanyl-oxan-2-yl]methoxy]-3-cyclohexyl-propanoic acid Openeye Name: (2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-oxo-ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-6-methoxy-tetrahydropyran-2-yl]methoxy]-3-cyclohexyl-propanoic acid CAS Name: (2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxy-6-methoxy-2-oxanyl]methoxy]-3-cyclohexylpropanoic acid IUPAC Name: (2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-methoxyoxan-2-yl]methoxy]-3-cyclohexylpropanoic acid Traditional Name: (2S)-2-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-keto-ethoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methoxy-tetrahydropyran-2-yl]methoxy]-3-cyclohexyl-propionic acid Formula: C33H55NO15 MolecularWeight: 705.7875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC)COC(CC2CCCCC2)C(=O)O)O)OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC)CO[C@@H](CC2CCCCC2)C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O

InChI

InChI=1S/C33H55NO15/c1-17(36)34-24-28(26(38)23(48-32(24)44-2)16-45-20(30(40)41)13-18-9-5-3-6-10-18)49-33-27(39)29(25(37)22(15-35)47-33)46-21(31(42)43)14-19-11-7-4-8-12-19/h18-29,32-33,35,37-39H,3-16H2,1-2H3,(H,34,36)(H,40,41)(H,42,43)/t20-,21-,22+,23+,24+,25-,26-,27+,28+,29-,32+,33-/m0/s1