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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,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-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,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]urea
organooxygen compound > carboxamide > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-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,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-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,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]urea
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 1-(1,3-benzodioxol-5-yl)-3-[(3r,9r,10s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]urea

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C38H48N4O9

inchi

  • InChI=1S/C38H48N4O9/c1-24-18-42(25(2)21-43)37(44)30-16-28(39-38(45)40-29-10-13-33-35(17-29)50-23-48-33)9-12-31(30)51-26(3)7-5-6-14-46-36(24)20-41(4)19-27-8-11-32-34(15-27)49-22-47-32/h8-13,15-17,24-26,36,43H,5-7,14,18-23H2,1-4H3,(H2,39,40,45)/t24-,25+,26+,36-/m0/s1

inchikey

  • ITDNMFIUSPAAPJ-JNVQPCQUSA-N

mass

  • 704.811

monoisotopicmass

  • 704.34213

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)CC5=CC6=C(C=C5)OCO6

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130658

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