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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 > amino-acid derivative > amino acid amide > lsm-36762
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > lsm-36762
organooxygen compound > carboxamide > amino acid amide > lsm-36762
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > lsm-36762

Preferred term

lsm-36762  

Type

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

Broader concept

charge

  • 0

formula

  • C24H21ClN2O6

inchi

  • InChI=1S/C24H21ClN2O6/c25-15-7-4-8-16(14(15)12-28)27-20(21(29)26-11-13-5-2-1-3-6-13)24-10-9-17(33-24)18(23(31)32)19(24)22(27)30/h1-10,17-20,28H,11-12H2,(H,26,29)(H,31,32)/t17-,18+,19+,20-,24+/m0/s1

inchikey

  • BSOCYPJRZOKXMA-YSKXDDPOSA-N

mass

  • 468.887

monoisotopicmass

  • 468.10881

smiles

  • C1=CC=C(C=C1)CNC(=O)[C@H]2[C@]34C=C[C@H](O3)[C@H]([C@@H]4C(=O)N2C5=C(C(=CC=C5)Cl)CO)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125291

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