skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > oligopeptide > dipeptide > retosiban
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > retosiban
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > retosiban
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > retosiban
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > dipeptide > retosiban

Preferred term

retosiban  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34N4O5

inchi

  • InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1

inchikey

  • PLVGDGRBPMVYPB-FDUHJNRSSA-N

mass

  • 494.592

monoisotopicmass

  • 494.25292

smiles

  • O=C1N([C@]([C@H](CC)C)(C(=O)N[C@@]1(C2CC=3C(C2)=CC=CC3)[H])[H])[C@@H](C(=O)N4CCOCC4)C=5N=C(OC5)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188651

Download this concept:

RDF/XML TURTLE JSON-LD