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E7Q : Summary
Code
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E7Q
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One-letter code
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X
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Molecule name
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~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide
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Systematic names
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Formula
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C16 H19 Cl N2 O4
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Formal charge
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0
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Molecular weight
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338.786 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCCCCC(=O)N(O)[CH]1CC(=O)N(C1=O)c2ccc(Cl)cc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCC(=O)N(C1CC(=O)N(C1=O)c2ccc(cc2)Cl)O |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCC(=O)N(O)[C@H]1CC(=O)N(C1=O)c2ccc(Cl)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O |
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IUPAC InChI | InChI=1S/C16H19ClN2O4/c1-2-3-4-5-14(20)19(23)13-10-15(21)18(16(13)22)12-8-6-11(17)7-9-12/h6-9,13,23H,2-5,10H2,1H3/t13-/m0/s1 |
IUPAC InChI key | ZAMVBYSBDZJLIX-ZDUSSCGKSA-N |
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wwPDB Information |
Atom count
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42 (23 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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2018-02-26
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Last modified at
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2019-03-08
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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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