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Chemistry, part 3

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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 > amino-acid derivative > leucine derivative > (2s)-2-[(2r,3s,4as,7r,8r,8as)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > amino-acid derivative > leucine derivative > (2s)-2-[(2r,3s,4as,7r,8r,8as)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid

Preferred term

(2s)-2-[(2r,3s,4as,7r,8r,8as)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1h-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H41NO7

inchi

  • InChI=1S/C29H41NO7/c1-14(2)9-19(26(35)36)30-13-18-16(25(30)34)10-20(31)17-11-29(37-23(17)18)15(3)7-8-22-27(4,5)24(33)21(32)12-28(22,29)6/h10,14-15,19,21-22,24,31-33H,7-9,11-13H2,1-6H3,(H,35,36)/t15-,19+,21-,22+,24-,28+,29-/m1/s1

inchikey

  • SMSPTZUKTTULDE-OINGEMJRSA-N

mass

  • 515.647

monoisotopicmass

  • 515.28830

smiles

  • O=C1N([C@H](C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202672

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