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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-n-methylbutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-n-methylbutanamide
organooxygen compound > carboxamide > lactam > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-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 > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-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 > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-n-methylbutanamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-n-methylbutanamide

Preferred term

n-[[(3s,9s,10r)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-n-methylbutanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C34H45F3N4O8

inchi

  • InChI=1S/C34H45F3N4O8/c1-21-17-41(22(2)19-42)32(44)26-15-24(38-33(45)39-25-9-11-28-29(16-25)48-20-47-28)8-10-27(26)49-23(3)7-5-6-14-46-30(21)18-40(4)31(43)12-13-34(35,36)37/h8-11,15-16,21-23,30,42H,5-7,12-14,17-20H2,1-4H3,(H2,38,39,45)/t21-,22-,23+,30-/m1/s1

inchikey

  • XBRFDDKQYVGLRM-ORVIQXKCSA-N

mass

  • 694.740

monoisotopicmass

  • 694.31895

smiles

  • C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[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:130298

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