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

Preferred term

n-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C32H39N3O6S

inchi

  • InChI=1S/C32H39N3O6S/c1-22-10-13-28(14-11-22)42(39,40)34(4)20-30-23(2)19-35(24(3)21-36)32(38)18-26-17-27(12-15-29(26)41-30)33-31(37)16-25-8-6-5-7-9-25/h5-15,17,23-24,30,36H,16,18-21H2,1-4H3,(H,33,37)/t23-,24-,30-/m1/s1

inchikey

  • JFKKEIVDTMFBMW-BOYVUMAVSA-N

mass

  • 593.736

monoisotopicmass

  • 593.25596

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123714

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