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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
organooxygen compound > carboxamide > lactam > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

Preferred term

4-(dimethylamino)-n-[(3r,9s,10r)-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C31H54N4O5

inchi

  • InChI=1S/C31H54N4O5/c1-8-16-34(7)21-29-23(2)20-35(24(3)22-36)31(38)27-19-26(32-30(37)13-11-17-33(5)6)14-15-28(27)40-25(4)12-9-10-18-39-29/h14-15,19,23-25,29,36H,8-13,16-18,20-22H2,1-7H3,(H,32,37)/t23-,24+,25-,29-/m1/s1

inchikey

  • NSUWFWDPIIGHAU-MNGFJMBLSA-N

mass

  • 562.785

monoisotopicmass

  • 562.40942

smiles

  • CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106978

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