5-[[[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(tetradecylcarbamoyl)phenyl]methoxycarbonylamino]methyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[[[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(tetradecylcarbamoyl)phenyl]methoxycarbonylamino]methyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[[[3-(tetradecylcarbamoyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methoxycarbonylamino]methyl]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[[[oxo-[[3-[oxo-(tetradecylamino)methyl]-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methoxy]methyl]amino]methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[[[3-(tetradecylcarbamoyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonylamino]methyl]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-[[[3-(myristylcarbamoyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]oxycarbonylamino]methyl]benzoic acid Formula: C50H60N2O14 MolecularWeight: 913.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)COC(=O)NCC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)COC(=O)NCC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C50H60N2O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-51-47(59)38-24-31(15-21-39(38)65-49-46(58)45(57)44(56)42(28-53)66-49)29-63-50(62)52-27-30-14-18-34(37(23-30)48(60)61)43-35-19-16-32(54)25-40(35)64-41-26-33(55)17-20-36(41)43/h14-21,23-26,42,44-46,49,53-54,56-58H,2-13,22,27-29H2,1H3,(H,51,59)(H,52,62)(H,60,61)/t42-,44+,45+,46-,49-/m1/s1