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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > aeruginosin kb676
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > aeruginosin kb676
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > aeruginosin kb676
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > aeruginosin kb676
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > aeruginosin kb676
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > aeruginosin kb676
organooxygen compound > carboxamide > n-acyl-amino acid > aeruginosin kb676
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > aeruginosin kb676

Preferred term

aeruginosin kb676  

Type

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

Broader concept

charge

  • 0

formula

  • C37H52N6O6

inchi

  • InChI=1S/C37H52N6O6/c1-24(2)16-19-42(37(38)39)18-7-6-17-40-34(47)32-22-27-12-15-29(45)23-31(27)43(32)36(49)30(20-25-8-4-3-5-9-25)41-35(48)33(46)21-26-10-13-28(44)14-11-26/h3-5,8-11,13-14,16,27,29-33,44-46H,6-7,12,15,17-23H2,1-2H3,(H3,38,39)(H,40,47)(H,41,48)/t27-,29-,30+,31-,32-,33+/m0/s1

inchikey

  • VUIOUJILJQINJJ-VDVPGJEISA-N

mass

  • 676.859

monoisotopicmass

  • 676.39483

smiles

  • O=C(NCCCCN(C(=N)N)CC=C(C)C)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC3=CC=CC=C3)[C@H]4C[C@@H](O)CC[C@H]4C1

subset

  • 2_STAR

synonym EXACT

  • (2S,3aS,6S,7aS)-N-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213675

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