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-[[(2r,3r)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-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-[[(2r,3r)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 1-[[(2r,3r)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-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-[[(2r,3r)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Preferred term

1-[[(2r,3r)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C26H35ClN4O6S

inchi

  • InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)30(5)14-23-17(3)13-31(18(4)15-32)25(33)21-7-6-8-22(24(21)37-23)29-38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,29,32H,13-15H2,1-5H3,(H,28,34)/t17-,18+,23+/m1/s1

inchikey

  • ROXPMFGZZQEKHB-STSQHVNTSA-N

mass

  • 567.099

monoisotopicmass

  • 566.19658

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111589

Download this concept:

RDF/XML TURTLE JSON-LD