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Concept information

organic aromatic compound > aromatic amine > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-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-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-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-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-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-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-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

  • C37H47N5O7

inchi

  • InChI=1S/C37H47N5O7/c1-24-19-42(25(2)22-43)37(46)28-18-27(39-35(44)11-5-4-6-12-36(45)40-30-10-8-7-9-29(30)38)14-16-31(28)49-34(24)21-41(3)20-26-13-15-32-33(17-26)48-23-47-32/h7-10,13-18,24-25,34,43H,4-6,11-12,19-23,38H2,1-3H3,(H,39,44)(H,40,45)/t24-,25+,34+/m0/s1

inchikey

  • ZTQXGGITVIKSRM-VIPXIGFPSA-N

mass

  • 673.800

monoisotopicmass

  • 673.34755

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=CC5=C(C=C4)OCO5)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126407

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