N,N'-bis[7-[(2R,3R,4S,5R)-5-methoxy-6,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-methyl-2-oxidanylidene-chromen-3-yl]oct-4-ynediamide

Systemtic Name: N,N'-bis[7-[(2R,3R,4S,5R)-5-methoxy-6,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-methyl-2-oxidanylidene-chromen-3-yl]oct-4-ynediamide Openeye Name: N,N'-bis[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]oct-4-ynediamide CAS Name: N,N'-bis[7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-2-oxanyl]oxy]-8-methyl-2-oxo-1-benzopyran-3-yl]-4-octynediamide IUPAC Name: N,N'-bis[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]oct-4-ynediamide Traditional Name: N,N'-bis[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-2-keto-8-methyl-chromen-3-yl]oct-4-ynediamide Formula: C44H52N2O16 MolecularWeight: 864.88748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)CCC#CCCC(=O)NC3=CC4=C(C(=C(C=C4)OC5C(C(C(C(O5)(C)C)OC)O)O)C)OC3=O)OC6C(C(C(C(O6)(C)C)OC)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)CCC#CCCC(=O)NC3=CC4=C(C(=C(C=C4)O[C@H]5[C@@H]([C@@H]([C@H](C(O5)(C)C)OC)O)O)C)OC3=O)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)O)O

InChI

InChI=1S/C44H52N2O16/c1-21-27(57-41-33(51)31(49)37(55-7)43(3,4)61-41)17-15-23-19-25(39(53)59-35(21)23)45-29(47)13-11-9-10-12-14-30(48)46-26-20-24-16-18-28(22(2)36(24)60-40(26)54)58-42-34(52)32(50)38(56-8)44(5,6)62-42/h15-20,31-34,37-38,41-42,49-52H,11-14H2,1-8H3,(H,45,47)(H,46,48)/t31-,32-,33+,34+,37+,38+,41+,42+/m0/s1