FXM

2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate

Created: 2005-11-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count70
Aromatic Bond Count5
2D diagram of FXM
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Chemical Component Summary

Name2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate
SynonymsFLOMOX open form
Systematic Name (OpenEye OEToolkits)2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
FormulaC23 H31 N5 O8 S2
Molecular Weight569.651
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2
SMILESOpenEye OEToolkits1.7.6CCC=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
Canonical SMILESCACTVS3.385 CC\C=C(/C(=O)N[C@H](C=O)[C@@H]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2
Canonical SMILESOpenEye OEToolkits1.7.6 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
InChIInChI1.03 InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1
InChIKeyInChI1.03 CXZSGDIZUNIAQH-FJWVKOTRSA-N

Related Resource References

Resource NameReference
PubChem 137349378