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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 1-[(2s,3r)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[(2s,3r)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
... > 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)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[(2s,3r)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Preferred term

1-[(2s,3r)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H43N5O5

inchi

  • InChI=1S/C29H43N5O5/c1-18-14-34(19(2)17-35)28(36)24-13-23(30-29(37)31-27-20(3)32-39-21(27)4)11-12-25(24)38-26(18)16-33(5)15-22-9-7-6-8-10-22/h11-13,18-19,22,26,35H,6-10,14-17H2,1-5H3,(H2,30,31,37)/t18-,19+,26-/m1/s1

inchikey

  • GCOOUUHDYUHFBZ-UYXZNNOOSA-N

mass

  • 541.683

monoisotopicmass

  • 541.32642

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123727

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