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Chemistry, part 1

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Concept information

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

Preferred term

(8r,9s)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one  

Type

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

Broader concept

charge

  • 0

formula

  • C24H35N5O5

inchi

  • InChI=1S/C24H35N5O5/c1-17-10-29(18(2)14-30)24(31)5-4-8-28-12-20(25-26-28)15-32-23(17)13-27(3)11-19-6-7-21-22(9-19)34-16-33-21/h6-7,9,12,17-18,23,30H,4-5,8,10-11,13-16H2,1-3H3/t17-,18-,23-/m1/s1

inchikey

  • ZLSVBQPGKZIPOU-PMAPCBKXSA-N

mass

  • 473.566

monoisotopicmass

  • 473.26382

smiles

  • C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)N=N2)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96884

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