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FFH : Summary
Code
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FFH
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One-letter code
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X
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Molecule name
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3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
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Systematic names
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Formula
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C29 H45 N5 O10 S
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Formal charge
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0
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Molecular weight
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655.76 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NCOCCOCCOCCOCCOCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN |
Canonical SMILES
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CACTVS |
3.385 |
NCOCCOCCOCCOCCOCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN |
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IUPAC InChI | InChI=1S/C29H45N5O10S/c30-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-11-28(35)32-12-1-2-13-44-26-7-3-24(4-8-26)33-29(36)34-25-5-9-27(10-6-25)45(31,37)38/h3-10H,1-2,11-23,30H2,(H,32,35)(H2,31,37,38)(H2,33,34,36) |
IUPAC InChI key | UDWQBPJNUHSQMR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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90 (45 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2018-06-27
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Last modified at
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2019-05-03
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Status
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Released
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Obsoleted
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Not Assigned
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