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 | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 4 |
Bond Count | 38 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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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 |
Formula | C13 H16 N2 O6 |
Molecular Weight | 296.276 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH]1OC(=NOC(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(=NOC(=O)Nc2ccccc2)O1)O)O)O |
Canonical SMILES | CACTVS | 3.385 | C[C@@H]1OC(=N\OC(=O)Nc2ccccc2)/[C@@H](O)[C@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | PUWMVMHIUFKDRR-SLDBRONRSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349471 |