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Concept information

organic aromatic compound > aromatic amine > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-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-[(2s,3s)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-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-[(2s,3s)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-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-[(2s,3s)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-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

  • C37H54N6O6

inchi

  • InChI=1S/C37H54N6O6/c1-25-22-43(26(2)24-44)36(47)21-27-20-29(39-34(45)16-8-5-9-17-35(46)41-31-15-11-10-14-30(31)38)18-19-32(27)49-33(25)23-42(3)37(48)40-28-12-6-4-7-13-28/h10-11,14-15,18-20,25-26,28,33,44H,4-9,12-13,16-17,21-24,38H2,1-3H3,(H,39,45)(H,40,48)(H,41,46)/t25-,26+,33+/m0/s1

inchikey

  • LJSSNWIMXFQQLO-RLYJWURVSA-N

mass

  • 678.863

monoisotopicmass

  • 678.41048

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)C(=O)NC4CCCCC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129366

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