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Concept information

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

Preferred term

1-[(3s,9r,10r)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2s)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C43H53FN4O8S

inchi

  • InChI=1S/C43H53FN4O8S/c1-30-26-48(31(2)28-54-29-33-14-19-37(53-5)20-15-33)42(49)39-25-36(46-43(50)45-35-12-7-6-8-13-35)18-23-40(39)56-32(3)11-9-10-24-55-41(30)27-47(4)57(51,52)38-21-16-34(44)17-22-38/h6-8,12-23,25,30-32,41H,9-11,24,26-29H2,1-5H3,(H2,45,46,50)/t30-,31+,32+,41+/m1/s1

inchikey

  • NJCFHVZVQQXDMT-FBYVDAEASA-N

mass

  • 804.969

monoisotopicmass

  • 804.35681

smiles

  • C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93665

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