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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > a-500359 d
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > a-500359 d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > a-500359 d
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > a-500359 d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > a-500359 d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > a-500359 d
organooxygen compound > carboxamide > n-acyl-amino acid > a-500359 d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > a-500359 d

Preferred term

a-500359 d  

Type

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

Broader concept

charge

  • 0

formula

  • C24H33N5O11

inchi

  • InChI=1S/C24H33N5O11/c1-10-4-3-5-12(21(34)26-10)27-22(35)13-8-11(30)9-15(38-13)39-19(20(25)33)18-17(37-2)16(32)23(40-18)29-7-6-14(31)28-24(29)36/h6-8,10-12,15-19,23,30,32H,3-5,9H2,1-2H3,(H2,25,33)(H,26,34)(H,27,35)(H,28,31,36)/t10-,11+,12+,15-,16-,17+,18+,19-,23-/m1/s1

inchikey

  • KMZLQNUZDFXWBQ-FMNIZJBPSA-N

mass

  • 567.552

monoisotopicmass

  • 567.21766

smiles

  • O=C1N[C@@H](CCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3OC)O)C[C@H](C2)O)C

subset

  • 2_STAR

synonym EXACT

  • (2S,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4-hydroxy-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221415

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