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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > /{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl/}acetic acid
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > /{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl/}acetic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > /{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl/}acetic acid

Preferred term

/{1-[(1s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl/}acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18ClNO4S

inchi

  • InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,15,23H,6-9H2,1H3,(H,19,20)/t15-/m0/s1

inchikey

  • CXPJTQJWJQRBOF-HNNXBMFYSA-N

mass

  • 355.830

monoisotopicmass

  • 355.06451

smiles

  • ClC=1C([C@H](N2CCC(S)=C(C2)CC(O)=O)C(OC)=O)=CC=CC1

subset

  • 2_STAR

synonym EXACT

  • 2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulanyl-3,6-dihydro-2H-pyridin-5-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229899

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