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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide
organooxygen compound > carboxamide > lactam > n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide
... > 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'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide

Preferred term

n'-(2-aminophenyl)-n-[(3r,9s,10s)-9-[[(4-chlorophenyl)sulfonyl-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]heptanediamide  

Type

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

Broader concept

charge

  • 0

formula

  • C41H56ClN5O8S

inchi

  • InChI=1S/C41H56ClN5O8S/c1-28-25-47(29(2)27-48)41(51)34-24-32(44-39(49)15-6-5-7-16-40(50)45-36-14-9-8-13-35(36)43)19-22-37(34)55-30(3)12-10-11-23-54-38(28)26-46(4)56(52,53)33-20-17-31(42)18-21-33/h8-9,13-14,17-22,24,28-30,38,48H,5-7,10-12,15-16,23,25-27,43H2,1-4H3,(H,44,49)(H,45,50)/t28-,29+,30+,38+/m0/s1

inchikey

  • OCKJGHCECNQZJG-HYZIGPPZSA-N

mass

  • 814.433

monoisotopicmass

  • 813.35381

smiles

  • C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127234

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