XLX
4,4'-(ethylenediimino)bis[4-oxobutyrate]
Created: | 2012-08-06 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 4,4'-(ethylenediimino)bis[4-oxobutyrate] |
Synonyms | 1,2-bis(maleimido)ethane, hydrolyzed open form |
Systematic Name (OpenEye OEToolkits) | 5-oxidanylidene-5-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethylamino]pentanoic acid |
Formula | C11 H18 N2 O6 |
Molecular Weight | 274.27 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O |
SMILES | CACTVS | 3.370 | OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O |
Canonical SMILES | CACTVS | 3.370 | OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19) |
InChIKey | InChI | 1.03 | JUHMDCQKNGDTCV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137350165 |