FLG
FLUORESCEINYLTHIOUREIDO
Created: | 2003-02-07 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 0 |
Bond Count | 52 |
Aromatic Bond Count | 23 |
Chemical Component Summary | |
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Name | FLUORESCEINYLTHIOUREIDO |
Systematic Name (OpenEye OEToolkits) | 5-(ethylcarbamothioylamino)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid |
Formula | C23 H18 N2 O5 S |
Molecular Weight | 434.464 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C(NCC)Nc4ccc(C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3)c(C(=O)O)c4 |
SMILES | CACTVS | 3.341 | CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
Canonical SMILES | CACTVS | 3.341 | CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
InChI | InChI | 1.03 | InChI=1S/C23H18N2O5S/c1-2-24-23(31)25-12-3-6-15(18(9-12)22(28)29)21-16-7-4-13(26)10-19(16)30-20-11-14(27)5-8-17(20)21/h3-11,26H,2H2,1H3,(H,28,29)(H2,24,25,31) |
InChIKey | InChI | 1.03 | VHJFQSRUDVDTEO-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank ID | DB02455 |
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Name | Fluoresceinylthioureido |
Groups | experimental |
Synonyms | Fluoresceinylthioureido |
Related Resource References
Resource Name | Reference |
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PubChem | 49866988 |