FZS

(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Created: 2018-05-01
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count44
Aromatic Bond Count5
2D diagram of FZS
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Chemical Component Summary

Name(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SynonymsCeftriaxone open, bound form
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[(1~{S})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid
FormulaC14 H17 N5 O5 S2
Molecular Weight399.445
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OCC(NC(\C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2
SMILESCACTVS3.385CON=C(C(=O)N[CH](CO)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
SMILESOpenEye OEToolkits2.0.6CON=C(c1csc(n1)N)C(=O)NC(CO)C2N=C(C(=C)CS2)C(=O)O
Canonical SMILESCACTVS3.385 CO\N=C(/C(=O)N[C@@H](CO)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
Canonical SMILESOpenEye OEToolkits2.0.6 CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O
InChIInChI1.03 InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1
InChIKeyInChI1.03 BPQMPOALEVUCBW-FFHDXYSJSA-N

Related Resource References

Resource NameReference
PubChem 134611705