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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide
organooxygen compound > carboxamide > lactam > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide

Preferred term

n-[[(3r,9s,10s)-16-(dimethylamino)-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-9-yl]methyl]-n,3,5-trimethyl-4-isoxazolesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H46N4O7S

inchi

  • InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20-,21+,27+/m0/s1

inchikey

  • PQVSIMSGGSSCRI-FRUANSSVSA-N

mass

  • 594.765

monoisotopicmass

  • 594.30872

smiles

  • C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123647

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