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

Preferred term

1-[(2s,3r)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32ClFN4O6S

inchi

  • InChI=1S/C29H32ClFN4O6S/c1-18-15-35(19(2)17-36)28(37)25-14-23(33-29(38)32-22-8-6-21(31)7-9-22)10-13-26(25)41-27(18)16-34(3)42(39,40)24-11-4-20(30)5-12-24/h4-14,18-19,27,36H,15-17H2,1-3H3,(H2,32,33,38)/t18-,19-,27-/m1/s1

inchikey

  • PVQMHFFEVRVVRW-DRGJWEBESA-N

mass

  • 619.106

monoisotopicmass

  • 618.17151

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124648

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