KQ6
Bilin 584 (doubly linked)
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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | Bilin 584 (doubly linked) |
Synonyms | (2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid |
Identifiers | 3-[(2~{Z})-2-[[5-[[(2~{R})-4-ethyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-3-[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1~{H}-pyrrol-2-yl]methylidene]-5-[(~{Z})-[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-3-yl]propanoic acid |
Formula | C33 H40 N4 O6 |
Molecular Weight | 588.694 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C |
InChI | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1 |
InChIKey | KXOMFZIVZHIPRO-GUEBWASOSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 83 |
Chiral Atom Count | 3 |
Bond Count | 86 |
Aromatic Bond Count | 5 |