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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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 > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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 > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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 > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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 > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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 > (8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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

(8s,9r)-9-[[3,4-dihydro-2h-1,5-benzodioxepin-6-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

  • C26H39N5O5

inchi

  • InChI=1S/C26H39N5O5/c1-19-13-31(20(2)17-32)25(33)9-5-10-30-15-22(27-28-30)18-36-24(19)16-29(3)14-21-7-4-8-23-26(21)35-12-6-11-34-23/h4,7-8,15,19-20,24,32H,5-6,9-14,16-18H2,1-3H3/t19-,20+,24-/m0/s1

inchikey

  • ATOJIXFYNQCGDG-ROKPMTFOSA-N

mass

  • 501.619

monoisotopicmass

  • 501.29512

smiles

  • C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=C4C(=CC=C3)OCCCO4)N=N2)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97018

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