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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 > 4-(dimethylamino)-n-[(2r,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
... > 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 > 4-(dimethylamino)-n-[(2r,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 4-(dimethylamino)-n-[(2r,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 4-(dimethylamino)-n-[(2r,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

Preferred term

4-(dimethylamino)-n-[(2r,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H41FN4O6S

inchi

  • InChI=1S/C29H41FN4O6S/c1-20-17-34(21(2)19-35)29(37)16-22-15-24(31-28(36)7-6-14-32(3)4)10-13-26(22)40-27(20)18-33(5)41(38,39)25-11-8-23(30)9-12-25/h8-13,15,20-21,27,35H,6-7,14,16-19H2,1-5H3,(H,31,36)/t20-,21-,27-/m0/s1

inchikey

  • QROKXOKLOVAMIJ-IZVMNLJQSA-N

mass

  • 592.725

monoisotopicmass

  • 592.27308

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108790

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