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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > 1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]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 > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

Preferred term

1-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]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

  • C21H34N4O6S

inchi

  • InChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-17-9-7-8-16-19(17)31-18(11-24(5)32(6,29)30)14(3)10-25(20(16)27)15(4)12-26/h7-9,13-15,18,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15+,18-/m1/s1

inchikey

  • JMXMRSKNTVHTGA-RVKKMQEKSA-N

mass

  • 470.585

monoisotopicmass

  • 470.21991

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)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111489

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