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Concept information

Preferred term

amonabactin t 789  

Type

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

Broader concept

charge

  • 0

formula

  • C39H47N7O11

inchi

  • InChI=1S/C39H47N7O11/c40-26(12-3-5-17-41-32(49)21-44-36(53)25-11-8-16-31(48)34(25)51)37(54)45-28(14-4-6-18-42-35(52)24-10-7-15-30(47)33(24)50)38(55)46-29(39(56)57)19-22-20-43-27-13-2-1-9-23(22)27/h1-2,7-11,13,15-16,20,26,28-29,43,47-48,50-51H,3-6,12,14,17-19,21,40H2,(H,41,49)(H,42,52)(H,44,53)(H,45,54)(H,46,55)(H,56,57)

inchikey

  • YQBYSQJGPSBCIG-UHFFFAOYSA-N

mass

  • 789.843

monoisotopicmass

  • 789.33336

smiles

  • O=C(NCC(=O)NCCCCC(N)C(=O)NC(C(=O)NC(C(=O)O)CC=1C2=C(C=CC=C2)NC1)CCCCNC(=O)C3=C(O)C(O)=CC=C3)C4=C(O)C(O)=CC=C4

subset

  • 2_STAR

synonym EXACT

  • 2-[[2-[[2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201844

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