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Concept information

Preferred term

آئروژینوسین NAL3  

Type

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

charge

  • 0

formula

  • C32H50N6O6

inchi

  • InChI=1S/C32H50N6O6/c1-2-3-4-5-6-9-29(42)37-26(17-21-10-13-24(40)14-11-21)31(44)38-27-19-25(41)15-12-22(27)18-28(38)30(43)36-23(20-39)8-7-16-35-32(33)34/h10-11,13-14,20,22-23,25-28,40-41H,2-9,12,15-19H2,1H3,(H,36,43)(H,37,42)(H4,33,34,35)/t22-,23?,25?,26-,27-,28-/m0/s1

inchikey

  • VXNDIAFIQMKCRY-NOSOXJMZSA-N

mass

  • 614.788

monoisotopicmass

  • 614.37918

smiles

  • O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1

subset

  • 2_STAR

synonym EXACT

  • (2S,3aS,7aS)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-6-hydroxy-1-[(2S)-3-(4-hydroxyphenyl)-2-(octanoylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213511

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