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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 4-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-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-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-n-methylbutanamide
organooxygen compound > carboxamide > lactam > 4-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-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-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-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-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-n-methylbutanamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 4-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-n-methylbutanamide

Preferred term

4-(dimethylamino)-n-[[(3s,9s,10s)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2s)-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]-n-methylbutanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C35H52FN5O6

inchi

  • InChI=1S/C35H52FN5O6/c1-24-21-41(25(2)23-42)34(44)30-20-29(38-35(45)37-28-14-12-27(36)13-15-28)16-17-31(30)47-26(3)10-7-8-19-46-32(24)22-40(6)33(43)11-9-18-39(4)5/h12-17,20,24-26,32,42H,7-11,18-19,21-23H2,1-6H3,(H2,37,38,45)/t24-,25-,26-,32+/m0/s1

inchikey

  • WYEISGQQLUDJPT-PXSDZQOHSA-N

mass

  • 657.817

monoisotopicmass

  • 657.39016

smiles

  • C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130881

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