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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)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Preferred term

1-[[(2s,3r)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C28H37N5O5

inchi

  • InChI=1S/C28H37N5O5/c1-19-16-33(20(2)18-34)27(35)24-14-21(8-7-13-31(3)4)15-29-26(24)38-25(19)17-32(5)28(36)30-22-9-11-23(37-6)12-10-22/h9-12,14-15,19-20,25,34H,13,16-18H2,1-6H3,(H,30,36)/t19-,20+,25-/m1/s1

inchikey

  • HTMGNWWTKIFEMM-OHUGHZGNSA-N

mass

  • 523.625

monoisotopicmass

  • 523.27947

smiles

  • C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114091

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