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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
... > 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 > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
... > 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 > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
... > 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 > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
organooxygen compound > carboxamide > n-acyl-amino acid > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid
... > 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 > 2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid

Preferred term

2-[[(5z,7e,10e)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1h-indol-3-yl)propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C40H49N3O6

inchi

  • InChI=1S/C40H49N3O6/c1-4-26(20-27-16-18-30-24(2)15-17-32(30)37(27)39(47)34-14-9-19-41-34)38(46)25(3)10-5-6-11-29(44)22-36(45)43-35(40(48)49)21-28-23-42-33-13-8-7-12-31(28)33/h5-10,12-14,16,18-20,23-24,27,29-30,32,35,37-38,41-42,44,46H,4,11,15,17,21-22H2,1-3H3,(H,43,45)(H,48,49)/b6-5-,25-10+,26-20+

inchikey

  • SXROOCSLGHPGOI-UHHUNHFOSA-N

mass

  • 667.847

monoisotopicmass

  • 667.36214

smiles

  • O=C(C=1NC=CC1)C2C(C=CC3C2CCC3C)/C=C(/C(O)/C(=C/C=C/CC(O)CC(=O)NC(C(=O)O)CC=4C5=C(C=CC=C5)NC4)/C)/CC

subset

  • 2_STAR

synonym EXACT

  • 2-[[(5Z,7E,10E)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226629

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