N-[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]-3-[1-[3-[[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]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]propanamide

Systemtic Name: N-[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]-3-[1-[3-[[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]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]propanamide Openeye Name: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]-3-[1-[3-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]amino]-3-oxo-propyl]triazol-4-yl]propanamide CAS Name: N-[7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-2-oxanyl]oxy]-8-methyl-2-oxo-1-benzopyran-3-yl]-3-[1-[3-[[7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-2-oxanyl]oxy]-8-methyl-2-oxo-1-benzopyran-3-yl]amino]-3-oxopropyl]-4-triazolyl]propanamide IUPAC Name: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]-3-[1-[3-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]amino]-3-oxopropyl]triazol-4-yl]propanamide Traditional Name: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-2-keto-8-methyl-chromen-3-yl]-3-[1-[3-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-2-keto-8-methyl-chromen-3-yl]amino]-3-keto-propyl]triazol-4-yl]propionamide Formula: C44H53N5O16 MolecularWeight: 907.91552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)CCC3=CN(N=N3)CCC(=O)NC4=CC5=C(C(=C(C=C5)OC6C(C(C(C(O6)(C)C)OC)O)O)C)OC4=O)OC7C(C(C(C(O7)(C)C)OC)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)CCC3=CN(N=N3)CCC(=O)NC4=CC5=C(C(=C(C=C5)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)O)O)C)OC4=O)O[C@H]7[C@@H]([C@@H]([C@H](C(O7)(C)C)OC)O)O

InChI

InChI=1S/C44H53N5O16/c1-20-27(60-41-33(54)31(52)37(58-7)43(3,4)64-41)12-9-22-17-25(39(56)62-35(20)22)45-29(50)14-11-24-19-49(48-47-24)16-15-30(51)46-26-18-23-10-13-28(21(2)36(23)63-40(26)57)61-42-34(55)32(53)38(59-8)44(5,6)65-42/h9-10,12-13,17-19,31-34,37-38,41-42,52-55H,11,14-16H2,1-8H3,(H,45,50)(H,46,51)/t31-,32-,33+,34+,37+,38+,41+,42+/m0/s1