methyl 3-[2-[2-[2-[3-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxypropylamino]-2-oxidanylidene-ethoxy]ethanoylamino]ethoxy]benzoate

Systemtic Name: methyl 3-[2-[2-[2-[3-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxypropylamino]-2-oxidanylidene-ethoxy]ethanoylamino]ethoxy]benzoate Openeye Name: methyl 3-[2-[[2-[2-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxypropylamino]-2-oxo-ethoxy]acetyl]amino]ethoxy]benzoate CAS Name: 3-[2-[[2-[2-[3-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]propylamino]-2-oxoethoxy]-1-oxoethyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[[2-[2-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropylamino]-2-oxoethoxy]acetyl]amino]ethoxy]benzoate Traditional Name: 3-[2-[[2-[2-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxypropylamino]-2-keto-ethoxy]acetyl]amino]ethoxy]benzoic acid methyl ester Formula: C29H44N2O17 MolecularWeight: 692.66286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCCNC(=O)COCC(=O)NCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCCNC(=O)COCC(=O)NCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

InChI

InChI=1S/C29H44N2O17/c1-42-27(41)15-4-2-5-16(10-15)44-9-7-31-20(35)14-43-13-19(34)30-6-3-8-45-28-25(40)23(38)26(18(12-33)47-28)48-29-24(39)22(37)21(36)17(11-32)46-29/h2,4-5,10,17-18,21-26,28-29,32-33,36-40H,3,6-9,11-14H2,1H3,(H,30,34)(H,31,35)/t17-,18-,21+,22+,23-,24-,25-,26+,28-,29-/m1/s1