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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 > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > 2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > 2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > 2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > 2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > 2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid

Preferred term

2-acetamido-3-[[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1h-benzo[g]isochromen-8-yl]sulanyl]propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H32N2O9S

inchi

  • InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m0/s1

inchikey

  • OGFKCFDHVVBHKQ-NZEUDUFCSA-N

mass

  • 548.610

monoisotopicmass

  • 548.18285

smiles

  • S(C1=C(NC)C(=O)C=2C=C3C[C@@H](CC(=O)O)O[C@H](C3=C(C2C1=O)O)CCC(C)C)CC(NC(=O)C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223659

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