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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 3-cyclohexyl-1-[[(2r,3s)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 3-cyclohexyl-1-[[(2r,3s)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 3-cyclohexyl-1-[[(2r,3s)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 3-cyclohexyl-1-[[(2r,3s)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Preferred term

3-cyclohexyl-1-[[(2r,3s)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H39FN4O6S

inchi

  • InChI=1S/C29H39FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-12-9-21(30)10-13-24)11-14-26(25)40-27(19)17-33(3)29(37)31-22-7-5-4-6-8-22/h9-15,19-20,22,27,32,35H,4-8,16-18H2,1-3H3,(H,31,37)/t19-,20-,27-/m0/s1

inchikey

  • GFSCIXLFWMXIKM-OSOCVKALSA-N

mass

  • 590.709

monoisotopicmass

  • 590.25743

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111551

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