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Concept information

Preferred term

آئروژینوسین 103 A  

Type

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

Broader concept

charge

  • 0

formula

  • C35H48N6O8

inchi

  • InChI=1S/C35H48N6O8/c1-2-49-34-26(4-3-15-40(34)35(36)37)38-31(46)29-18-22-9-14-25(44)19-28(22)41(29)33(48)27(16-20-5-10-23(42)11-6-20)39-32(47)30(45)17-21-7-12-24(43)13-8-21/h5-8,10-13,22,25-30,34,42-45H,2-4,9,14-19H2,1H3,(H3,36,37)(H,38,46)(H,39,47)/t22?,25?,26-,27+,28?,29?,30+,34+/m0/s1

inchikey

  • ZHFMOYWZDUNUOY-IQYNOVPGSA-N

mass

  • 680.803

monoisotopicmass

  • 680.35336

smiles

  • O=C(N[C@@H]1[C@@H](OCC)N(C(=N)N)CCC1)C2N(C(=O)[C@H](NC(=O)[C@H](O)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)C5CC(O)CCC5C2

subset

  • 2_STAR

synonym EXACT

  • N-[(2R,3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215694

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