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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)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]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)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]urea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 1-[(2s,3r)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]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)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]urea

Preferred term

1-[(2s,3r)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31ClFN3O5S

inchi

  • InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22-/m0/s1

inchikey

  • QUGGTUJVTWBVOW-HOIFWPIMSA-N

mass

  • 516.028

monoisotopicmass

  • 515.16570

smiles

  • C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101523

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