skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic aromatic compound > aromatic amine > n-(2-aminophenyl)-n'-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]heptanediamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > n-(2-aminophenyl)-n'-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]heptanediamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > n-(2-aminophenyl)-n'-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]heptanediamide

Preferred term

n-(2-aminophenyl)-n'-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]heptanediamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H45Cl2N5O5

inchi

  • InChI=1S/C36H45Cl2N5O5/c1-23-19-43(24(2)22-44)36(47)26-10-9-13-31(35(26)48-32(23)21-42(3)20-25-16-17-27(37)28(38)18-25)41-34(46)15-6-4-5-14-33(45)40-30-12-8-7-11-29(30)39/h7-13,16-18,23-24,32,44H,4-6,14-15,19-22,39H2,1-3H3,(H,40,45)(H,41,46)/t23-,24-,32-/m0/s1

inchikey

  • KPNIWBUOMWGGPJ-TWVHRYOLSA-N

mass

  • 698.680

monoisotopicmass

  • 697.27977

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126175

Download this concept:

RDF/XML TURTLE JSON-LD