GYZ

[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate

Created:2018-10-24
Last modified:  2019-02-20

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count4
Bond Count38
Aromatic Bond Count6
2D diagram of GYZ

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Chemical Component Summary

Name[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate
Systematic Name (OpenEye OEToolkits)[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate
FormulaC13 H16 N2 O6
Molecular Weight296.276
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH]1OC(=NOC(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.6CC1C(C(C(C(=NOC(=O)Nc2ccccc2)O1)O)O)O
Canonical SMILESCACTVS3.385 C[C@@H]1OC(=N\OC(=O)Nc2ccccc2)/[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O
InChIInChI1.03 InChI=1S/C13H16N2O6/c1-7-9(16)10(17)11(18)12(20-7)15-21-13(19)14-8-5-3-2-4-6-8/h2-7,9-11,16-18H,1H3,(H,14,19)/b15-12-/t7-,9+,10+,11-/m0/s1
InChIKeyInChI1.03 PUWMVMHIUFKDRR-SLDBRONRSA-N

Related Resource References

Resource NameReference
PubChem 137349471