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-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-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-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-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-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]heptanediamide

Preferred term

n'-(2-aminophenyl)-n-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]heptanediamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H53N5O5

inchi

  • InChI=1S/C36H53N5O5/c1-25-21-41(26(2)24-42)36(45)29-20-28(18-19-32(29)46-33(25)23-40(3)22-27-12-6-4-7-13-27)38-34(43)16-8-5-9-17-35(44)39-31-15-11-10-14-30(31)37/h10-11,14-15,18-20,25-27,33,42H,4-9,12-13,16-17,21-24,37H2,1-3H3,(H,38,43)(H,39,44)/t25-,26-,33+/m0/s1

inchikey

  • HSCCSOBZYXDVBZ-RROHFTNDSA-N

mass

  • 635.838

monoisotopicmass

  • 635.40467

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)CC4CCCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129644

Download this concept:

RDF/XML TURTLE JSON-LD