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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,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-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,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-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,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-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,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

Preferred term

1-[(2s,3s)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C26H35FN4O6S

inchi

  • InChI=1S/C26H35FN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23+/m0/s1

inchikey

  • YHAGKJIQSXBQKF-IUKKYPGJSA-N

mass

  • 550.645

monoisotopicmass

  • 550.22613

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(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:124203

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