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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 1-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 1-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)urea
organooxygen compound > carboxamide > lactam > 1-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)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-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)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-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)urea
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 1-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)urea

Preferred term

1-[(3s,9r,10s)-9-[(dimethylamino)methyl]-12-[(2s)-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]-3-(1-naphthalenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C34H46N4O5

inchi

  • InChI=1S/C34H46N4O5/c1-23-20-38(24(2)22-39)33(40)29-19-27(35-34(41)36-30-15-10-13-26-12-6-7-14-28(26)30)16-17-31(29)43-25(3)11-8-9-18-42-32(23)21-37(4)5/h6-7,10,12-17,19,23-25,32,39H,8-9,11,18,20-22H2,1-5H3,(H2,35,36,41)/t23-,24-,25-,32-/m0/s1

inchikey

  • HBVPERRGRWZCML-PGEKDVIVSA-N

mass

  • 590.754

monoisotopicmass

  • 590.34682

smiles

  • C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CN(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106938

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