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Chemistry, part 1

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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 > amino acid amide > (2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizin-6-one
organooxygen compound > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > (2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizin-6-one

Preferred term

(2s,3s,3ar,9br)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-1-(1,3-thiazol-2-ylmethyl)-3,3a,4,9b-tetrahydro-2h-pyrrolo[2,3-a]indolizin-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30N4O4S

inchi

  • InChI=1S/C25H30N4O4S/c30-15-19-18-13-28-20(6-5-17(24(28)31)16-3-1-2-4-16)22(18)29(14-21-26-7-12-34-21)23(19)25(32)27-8-10-33-11-9-27/h3,5-7,12,18-19,22-23,30H,1-2,4,8-11,13-15H2/t18-,19-,22+,23-/m0/s1

inchikey

  • XJTVLIMGWLYCNW-LBVMUVSTSA-N

mass

  • 482.597

monoisotopicmass

  • 482.19878

smiles

  • C1CC=C(C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=NC=CS5)C(=O)N6CCOCC6)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97739

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