(3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-1-oxopropoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (3R,4R,5R,6R)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C39H44N4O12 MolecularWeight: 760.78626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C1C=C2C(=C(C(=O)N2)C=C)C)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)OC5C(C(C(C(O5)C(=O)O)O)O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(N=C1/C=C/2\C(=C(C(=O)N2)C=C)C)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O)CCC(=O)O

InChI

InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,28,32-35,39,41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13+,27-14-/t28?,32-,33-,34-,35?,39+/m1/s1