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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 3-cyclohexyl-1-[[(2s,3r)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Preferred term

3-cyclohexyl-1-[[(2s,3r)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40FN5O5

inchi

  • InChI=1S/C30H40FN5O5/c1-19-16-36(20(2)18-37)28(38)24-10-7-11-25(34-29(39)32-23-14-12-21(31)13-15-23)27(24)41-26(19)17-35(3)30(40)33-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,37H,4-6,8-9,16-18H2,1-3H3,(H,33,40)(H2,32,34,39)/t19-,20+,26-/m1/s1

inchikey

  • QHNRKRROJRNDSD-BVFVYWQFSA-N

mass

  • 569.669

monoisotopicmass

  • 569.30135

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123635

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