E7D
Summary
| Name: | N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide |
| Formula: | C20 H29 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 407.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[[(2~{R})-2-[[hydroxymethyl(oxidanyl)amino]methyl]heptanoyl]amino]methyl]-7-methoxy-1-benzofuran-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCC(CN(CO)O)C(=O)NCNC(=O)c2cc1c(c(ccc1)OC)o2 |
| InChI | InChI | 1.03 | InChI=1S/C20H29N3O6/c1-3-4-5-7-15(11-23(27)13-24)19(25)21-12-22-20(26)17-10-14-8-6-9-16(28-2)18(14)29-17/h6,8-10,15,24,27H,3-5,7,11-13H2,1-2H3,(H,21,25)(H,22,26)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | SHHWEKDWPKWOKJ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](CN(O)CO)C(=O)NCNC(=O)c1oc2c(OC)cccc2c1 |
| SMILES | CACTVS | 3.385 | CCCCC[CH](CN(O)CO)C(=O)NCNC(=O)c1oc2c(OC)cccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC |
