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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > oligopeptide > dipeptide > aeruginosin 205-b
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > aeruginosin 205-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > aeruginosin 205-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > aeruginosin 205-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > dipeptide > aeruginosin 205-b

Preferred term

aeruginosin 205-b  

Type

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

Broader concept

charge

  • 0

formula

  • C34H53ClN6O12S

inchi

  • InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20?,21?,22?,23?,24?,25-,26+,27?,28?,29-,33?/m1/s1

inchikey

  • DZCMECJEYSAXKP-LKIYVDNDSA-N

mass

  • 805.340

monoisotopicmass

  • 804.31307

smiles

  • ClC1CC2N(C(=O)[C@@H](NC(=O)[C@H](OS(=O)(=O)O)CC3=CC=CC=C3)[C@H](OC4OCC(O)C(C4O)O)C(C)C)C(C(=O)NCCCCN=C(N)N)CC2CC1

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[[(2S,3R)-1-[6-chloro-2-[4-(diaminomethylideneamino)butylcarbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methyl-1-oxo-3-(3,4,5-trihydroxyoxan-2-yl)oxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213068

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