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Chemistry, part 1

Content language

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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 > cyanides > nitrile > (3s)-2-[(s)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-n-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Preferred term

(3s)-2-[(s)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-n-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C33H39N5O3S

inchi

  • InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m0/s1

inchikey

  • KRBOYVJOHNAAFC-WHAQVLKXSA-N

mass

  • 585.762

monoisotopicmass

  • 585.27736

smiles

  • CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100378

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