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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
organooxygen compound > carboxamide > lactam > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

Preferred term

1-(3,5-dimethyl-4-isoxazolyl)-3-[(3s,9r,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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

  • C28H43N5O6

inchi

  • InChI=1S/C28H43N5O6/c1-17-15-33(18(2)16-34)27(35)23-13-22(30-28(36)31-26-20(4)32-39-21(26)5)10-11-24(23)38-19(3)9-7-8-12-37-25(17)14-29-6/h10-11,13,17-19,25,29,34H,7-9,12,14-16H2,1-6H3,(H2,30,31,36)/t17-,18+,19+,25+/m1/s1

inchikey

  • OIOMLIQJBPNRTR-USTRSKKPSA-N

mass

  • 545.672

monoisotopicmass

  • 545.32133

smiles

  • C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106952

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