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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 > 1-[(2s,3r)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea

Preferred term

1-[(2s,3r)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C28H37FN4O4

inchi

  • InChI=1S/C28H37FN4O4/c1-18-14-33(19(2)17-34)27(35)13-21-12-24(31-28(36)30-23-8-6-22(29)7-9-23)10-11-25(21)37-26(18)16-32(3)15-20-4-5-20/h6-12,18-20,26,34H,4-5,13-17H2,1-3H3,(H2,30,31,36)/t18-,19-,26-/m1/s1

inchikey

  • AMQZKZPLMSJSIN-LJKQEARRSA-N

mass

  • 512.617

monoisotopicmass

  • 512.27988

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@@H]1CN(C)CC4CC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124505

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