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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-[[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2r)-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-[[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2r)-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-[[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2r)-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-[[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2r)-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-[[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2r)-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)24-10-7-11-25(32-41(38,39)23-14-12-21(30)13-15-23)27(24)40-26(19)17-33(3)29(37)31-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,32,35H,4-6,8-9,16-18H2,1-3H3,(H,31,37)/t19-,20-,26-/m1/s1

inchikey

  • PZASEUVCJBPSCE-XMERXJNXSA-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:108680

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