skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
... > 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-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 1-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
... > 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-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Preferred term

1-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C27H38N4O6S

inchi

  • InChI=1S/C27H38N4O6S/c1-18(2)28-27(34)29-22-11-12-24-21(13-22)14-26(33)31(20(4)17-32)15-19(3)25(37-24)16-30(5)38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20-,25-/m1/s1

inchikey

  • HGWAOVZJNBZMAA-UMEGOILYSA-N

mass

  • 546.681

monoisotopicmass

  • 546.25121

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130250

Download this concept:

RDF/XML TURTLE JSON-LD