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Concept information

Preferred term

آئروژینوسین DA722  

Type

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

Broader concept

charge

  • 0

formula

  • C29H44Cl2N6O9S

inchi

  • InChI=1S/C29H44Cl2N6O9S/c1-15(2)9-21(36-27(41)24(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-22-14-18(46-47(43,44)45)6-5-17(22)13-23(37)26(40)34-7-3-4-8-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t17-,18+,21+,22-,23-,24+/m0/s1

inchikey

  • UVNFBGACXCESOX-PVPAWSFNSA-N

mass

  • 723.660

monoisotopicmass

  • 722.22675

smiles

  • ClC1=C(O)C(Cl)=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)OS(=O)(=O)O)C[C@H]2C(=O)NCCCCN=C(N)N)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3aS,6R,7aS)-2-[4-(diaminomethylideneamino)butylcarbamoyl]-1-[(2R)-2-[[(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204031

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