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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
organooxygen compound > carboxamide > lactam > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

Preferred term

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8s,9r)-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36N6O6

inchi

  • InChI=1S/C25H36N6O6/c1-17-12-31(18(2)15-32)24(33)5-4-8-30-13-20(27-28-30)16-37-23(17)14-29(3)25(34)26-19-6-7-21-22(11-19)36-10-9-35-21/h6-7,11,13,17-18,23,32H,4-5,8-10,12,14-16H2,1-3H3,(H,26,34)/t17-,18+,23-/m0/s1

inchikey

  • BKRQCUCZQROLSQ-IXFSTUDKSA-N

mass

  • 516.591

monoisotopicmass

  • 516.26963

smiles

  • C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC4=C(C=C3)OCCO4)N=N2)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96801

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