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Concept information

Preferred term

پاراباکتین  

Type

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

charge

  • 0

formula

  • C32H36N4O9

inchi

  • InChI=1S/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,37-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)/t19-,26+/m1/s1

inchikey

  • FRCJDPPXHQGEKS-BCHFMIIMSA-N

mass

  • 620.659

monoisotopicmass

  • 620.24823

smiles

  • O=C(NCCCN(C(=O)[C@H]1N=C(C2=C(O)C=CC=C2)O[C@@H]1C)CCCCNC(=O)C3=C(O)C(O)=CC=C3)C4=C(O)C(O)=CC=C4

subset

  • 2_STAR

synonym EXACT

  • (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219819

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