A1BIM

(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Created:2024-11-29
Last modified:  2025-05-14

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count52
Aromatic Bond Count5
2D diagram of A1BIM
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Chemical Component Summary

Name(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Synonymshydrolyzed ceftazidime without pyridine ring
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid
FormulaC17 H19 N5 O8 S2
Molecular Weight485.491
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)C1=NC(SCC1=C)C(NC(=O)C(=N\OC(C)(C)C(=O)O)/c1csc(N)n1)C(=O)O
SMILESCACTVS3.385CC(C)(ON=C(C(=O)N[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c2csc(N)n2)C(O)=O
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C2N=C(C(=C)CS2)C(=O)O)C(=O)O
Canonical SMILESCACTVS3.385 CC(C)(O\N=C(/C(=O)N[C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c2csc(N)n2)C(O)=O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O
InChIInChI1.06 InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1
InChIKeyInChI1.06 LORMEESTXGATOD-DGLGDVFNSA-N

Related Resource References

Resource NameReference
PubChem 11987697