18B
Summary
| Name: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
| Synonyms: | 181,182-dihydrobiliverdin |
| Formula: | C33 H36 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 584.662 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC1=C(C)C(/NC1=O)=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C=C)C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C |
| SMILES | CACTVS | 3.352 | CCC1=C(C)C(NC1=O)=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C=C)C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C |
| InChI | InChI | 1.03 | 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/h7,13-15,34H,1,8-12H2,2-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15- |
| InChIKey | InChI | 1.03 | PSKIZABPQHQTFV-SRVCBVSDSA-N |
