UFJ
N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
Created: | 2020-05-14 |
Last modified: | 2020-09-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(4-iodophenyl)-~{N}'-oxidanyl-octanediamide |
Formula | C14 H19 I N2 O3 |
Molecular Weight | 390.217 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I |
SMILES | CACTVS | 3.385 | ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I |
Canonical SMILES | CACTVS | 3.385 | ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I |
InChI | InChI | 1.03 | InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19) |
InChIKey | InChI | 1.03 | BYVHZKAHBXINPL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 46205754 |
ChEMBL | CHEMBL1091578 |