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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > organooxygen compound > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
organic heterocyclic compound > organosulfur heterocyclic compound > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
organic heterocyclic compound > organonitrogen heterocyclic compound > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > penams > penicillanic acid ester > 2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Preferred term

2,2-dimethylpropanoyloxymethyl (2s,5s,6r)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H33N3O5S

inchi

  • InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17+/m1/s1

inchikey

  • NPGNOVNWUSPMDP-VYDXJSESSA-N

mass

  • 439.571

monoisotopicmass

  • 439.21409

smiles

  • CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94655

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