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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > aspertoryadin a
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > aspertoryadin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > aspertoryadin a

Preferred term

aspertoryadin a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H30N4O7S

inchi

  • InChI=1S/C28H30N4O7S/c1-15(2)21(33)22-29-18-12-8-6-10-16(18)23(34)30(22)20-14-28(39-24(20)35)17-11-7-9-13-19(17)31-25(28)32(40(5,37)38)27(3,4)26(31)36/h6-13,15,20-21,25,33H,14H2,1-5H3/t20-,21-,25-,28-/m0/s1

inchikey

  • PKMXBZQZEWJRBV-TVBSLCFISA-N

mass

  • 566.630

monoisotopicmass

  • 566.18352

smiles

  • S(=O)(=O)(N1C(C(=O)N2[C@@H]1[C@@]3(OC(=O)[C@H](C3)N4C(=O)C5=C(C=CC=C5)N=C4[C@@H](O)C(C)C)C=6C=CC=CC26)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3'S,3aS,4S)-3'-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethyl-3-methylsulonylspiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210845

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