Z18

(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate

Created: 2013-01-22
Last modified:  2014-01-29

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count6
Bond Count62
Aromatic Bond Count0
2D diagram of Z18
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Chemical Component Summary

Name(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate
Systematic Name (OpenEye OEToolkits)[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 2-(dimethylamino)ethanoate
FormulaC21 H35 N O5
Molecular Weight381.506
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CN(C)C)C1C)C)C)CC
SMILESCACTVS3.370CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CN(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C
SMILESOpenEye OEToolkits1.7.6CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)CN(C)C)C)C)C
Canonical SMILESCACTVS3.370 CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CN(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C
Canonical SMILESOpenEye OEToolkits1.7.6 CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C
InChIInChI1.03 InChI=1S/C21H35NO5/c1-8-18-13(2)9-10-17(23)14(3)11-15(4)20(16(5)21(25)26-18)27-19(24)12-22(6)7/h9-10,13-16,18,20H,8,11-12H2,1-7H3/b10-9+/t13-,14-,15+,16-,18-,20+/m1/s1
InChIKeyInChI1.03 ZTAVKALHSBCIRD-ABXOMAQFSA-N

Related Resource References

Resource NameReference
PubChem 72710565