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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organooxygen compound > carboxamide > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > 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 acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > beta-lactam > beta-lactam antibiotic > penams > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > 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 acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organic heterocyclic compound > organosulfur heterocyclic compound > penams > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organic heterocyclic compound > organonitrogen heterocyclic compound > penams > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > penams > penicillanic acids > penicillin > (2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Preferred term

(2s,5s,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18N2O4S

inchi

  • InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14+/m1/s1

inchikey

  • JGSARLDLIJGVTE-DYEKYZERSA-N

mass

  • 334.392

monoisotopicmass

  • 334.09873

smiles

  • CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94637

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