EF8

6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium

Created: 2018-03-16
Last modified:  2019-01-23

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Chemical Details

Formal Charge1
Atom Count67
Chiral Atom Count3
Bond Count67
Aromatic Bond Count0
2D diagram of EF8
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Chemical Component Summary

Name6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium
Systematic Name (OpenEye OEToolkits)6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium
FormulaC19 H37 N5 O5 P
Molecular Weight446.501
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OCCCCCCN=[N+]=N
SMILESOpenEye OEToolkits2.0.6CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N
Canonical SMILESCACTVS3.385 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)OCCCCCCN=[N+]=N
Canonical SMILESOpenEye OEToolkits2.0.6 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N
InChIInChI1.03 InChI=1S/C19H36N5O5P/c1-4-15(5-2)29-18-13-16(12-17(20)19(18)23-14(3)25)30(26,27)28-11-9-7-6-8-10-22-24-21/h13,15,17-19,21H,4-12,20H2,1-3H3,(H-,23,25,26,27)/p+1/t17-,18+,19+/m0/s1
InChIKeyInChI1.03 SQYBSQHYIJSZEH-IPMKNSEASA-O

Related Resource References

Resource NameReference
PubChem 137319635