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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-[[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Preferred term

1-[[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C33H41N5O7

inchi

  • InChI=1S/C33H41N5O7/c1-21-18-38(22(2)20-39)31(40)17-23-16-26(35-32(41)34-24-6-11-27(43-4)12-7-24)10-15-29(23)45-30(21)19-37(3)33(42)36-25-8-13-28(44-5)14-9-25/h6-16,21-22,30,39H,17-20H2,1-5H3,(H,36,42)(H2,34,35,41)/t21-,22-,30+/m1/s1

inchikey

  • FDBARYBHBHZYSL-WOGZVKCMSA-N

mass

  • 619.709

monoisotopicmass

  • 619.30060

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130956

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