3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-methyl-2-[[4-methyl-5-[(E)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-2-[[5-[(E)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-3-[3-keto-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]propyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C39H46N4O11 MolecularWeight: 746.80274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)OCC4C(C(C(C(O4)O)O)O)O)C=C5C(=C(C(=O)N5)C=C)C

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)O)O)O)O)/C=C\5/C(=C(C(=O)N5)C=C)C

InChI

InChI=1S/C39H46N4O11/c1-7-21-20(6)37(50)43-28(21)14-26-19(5)24(10-12-33(46)53-16-31-34(47)35(48)36(49)39(52)54-31)30(41-26)15-29-23(9-11-32(44)45)18(4)25(40-29)13-27-17(3)22(8-2)38(51)42-27/h7-8,13-14,31,34-36,39-41,47-49,52H,1-2,9-12,15-16H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)/b27-13-,28-14+/t31-,34-,35+,36-,39-/m1/s1