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Chemistry, part 2

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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 > organonitrogen heterocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > (3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

Preferred term

(3s,6s,7r,8ar)-6-[3-(2-hydroxyethoxy)phenyl]-n-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40N4O6S

inchi

  • InChI=1S/C27H40N4O6S/c1-17(2)13-21-27(36)31-22(26(35)30-21)15-20(24(31)18-7-6-8-19(14-18)37-12-11-32)25(34)29-10-5-3-4-9-28-23(33)16-38/h6-8,14,17,20-22,24,32,38H,3-5,9-13,15-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)/t20-,21+,22-,24-/m1/s1

inchikey

  • KMJRLGVVZSKVQB-JTOYRKQZSA-N

mass

  • 548.697

monoisotopicmass

  • 548.26686

smiles

  • CC(C)C[C@H]1C(=O)N2[C@H](C[C@H]([C@H]2C3=CC(=CC=C3)OCCO)C(=O)NCCCCCNC(=O)CS)C(=O)N1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125216

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