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Concept information

organic aromatic compound > aromatic amine > n'-(2-aminophenyl)-n-[(2r,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-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,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-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,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

Preferred term

n'-(2-aminophenyl)-n-[(2r,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide  

Type

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

Broader concept

charge

  • 0

formula

  • C38H49N5O7

inchi

  • InChI=1S/C38H49N5O7/c1-25-20-43(26(2)23-44)38(47)19-28-18-29(40-36(45)11-5-4-6-12-37(46)41-31-10-8-7-9-30(31)39)14-16-32(28)50-35(25)22-42(3)21-27-13-15-33-34(17-27)49-24-48-33/h7-10,13-18,25-26,35,44H,4-6,11-12,19-24,39H2,1-3H3,(H,40,45)(H,41,46)/t25-,26+,35+/m1/s1

inchikey

  • ISSFQUZIRZXYME-AWYDNWMNSA-N

mass

  • 687.826

monoisotopicmass

  • 687.36320

smiles

  • C[C@@H]1CN(C(=O)CC2=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:130487

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