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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)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide
... > 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)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide
organooxygen compound > carboxamide > lactam > n-[(3s,9s,10s)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide
... > 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)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide
... > 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)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > n-[(3s,9s,10s)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide

Preferred term

n-[(3s,9s,10s)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H51Cl2N3O5

inchi

  • InChI=1S/C36H51Cl2N3O5/c1-24-20-41(25(2)23-42)36(44)30-19-29(39-35(43)28-11-6-5-7-12-28)14-16-33(30)46-26(3)10-8-9-17-45-34(24)22-40(4)21-27-13-15-31(37)32(38)18-27/h13-16,18-19,24-26,28,34,42H,5-12,17,20-23H2,1-4H3,(H,39,43)/t24-,25+,26-,34+/m0/s1

inchikey

  • GIJXROWDOWXZEB-QZCKSCMDSA-N

mass

  • 676.714

monoisotopicmass

  • 675.32058

smiles

  • C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127508

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