MMP
Summary
Name: | N-METHYLMESOPORPHYRIN |
Formula: | C35 H40 N4 O4 |
Formal charge: | 0 |
Formula weight: | 580.716 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCc3c(c4cc1nc(C(=C1CC)C)cc5n(c(cc2nc(C(=C2C)CCC(=O)O)cc3n4)c(c5CC)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1c(C)c2cc3n(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC |
SMILES | CACTVS | 3.341 | CCc1c(C)c2cc3n(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1n2C)C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C |
InChI | InChI | 1.03 | InChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17- |
InChIKey | InChI | 1.03 | YNWHQWMCLCANDI-YIYRCNGCSA-N |