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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide
organooxygen compound > carboxamide > lactam > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide

Preferred term

4,4,4-trifluoro-n-[[(3r,9r,10r)-12-[(2r)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-n-methylbutanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42F3N3O7S

inchi

  • InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19-,20-,24+/m1/s1

inchikey

  • LBVOXJOHMPITGR-FIXDAVPBSA-N

mass

  • 609.701

monoisotopicmass

  • 609.26956

smiles

  • C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106830

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