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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea
organooxygen compound > carboxamide > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea

Preferred term

1-(1,3-benzodioxol-5-yl)-3-[(3r,9s,10r)-9-[(dimethylamino)methyl]-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-16-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44N4O7

inchi

  • InChI=1S/C31H44N4O7/c1-20-16-35(21(2)18-36)30(37)25-14-23(32-31(38)33-24-10-12-27-28(15-24)41-19-40-27)9-11-26(25)42-22(3)8-6-7-13-39-29(20)17-34(4)5/h9-12,14-15,20-22,29,36H,6-8,13,16-19H2,1-5H3,(H2,32,33,38)/t20-,21+,22-,29-/m1/s1

inchikey

  • BFYBBBSDVFDXJC-DJSJKVRESA-N

mass

  • 584.705

monoisotopicmass

  • 584.32100

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111069

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