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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide
organooxygen compound > carboxamide > lactam > n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide
... > 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-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide

Preferred term

n-[[(3s,9s,10s)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2r)-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-methylbenzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C37H46N4O8

inchi

  • InChI=1S/C37H46N4O8/c1-24-20-41(25(2)22-42)36(44)30-18-28(38-37(45)39-29-14-16-32-33(19-29)48-23-47-32)13-15-31(30)49-26(3)10-8-9-17-46-34(24)21-40(4)35(43)27-11-6-5-7-12-27/h5-7,11-16,18-19,24-26,34,42H,8-10,17,20-23H2,1-4H3,(H2,38,39,45)/t24-,25+,26-,34+/m0/s1

inchikey

  • DOWVVPKNMVLDNM-QZCKSCMDSA-N

mass

  • 674.785

monoisotopicmass

  • 674.33156

smiles

  • C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C(=O)C5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126274

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