KP9
Bilin 618 (single linked)
Find entries where: KP9
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
---|---|
Name | Bilin 618 (single linked) |
Synonyms | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE |
Identifiers | 3-[2-[(~{Z})-[5-[[(2~{R})-4-ethenyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-3-[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
Formula | C33 H36 N4 O6 |
Molecular Weight | 584.662 |
Type | NON-POLYMER |
Isomeric SMILES | CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)/C=C/C(=O)O)CCC(=O)O)C)C |
InChI | InChI=1S/C33H36N4O6/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/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1 |
InChIKey | DWOKJMXOEBXRPB-ZHKKBVGESA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 79 |
Chiral Atom Count | 1 |
Bond Count | 82 |
Aromatic Bond Count | 5 |