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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > n'-(2-aminophenyl)-n-[(2r,3s)-2-[[cyclopropylmethyl(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-[(2r,3s)-2-[[cyclopropylmethyl(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-[(2r,3s)-2-[[cyclopropylmethyl(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-[(2r,3s)-2-[[cyclopropylmethyl(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

  • C33H47N5O5

inchi

  • InChI=1S/C33H47N5O5/c1-22-18-38(23(2)21-39)33(42)26-17-25(15-16-29(26)43-30(22)20-37(3)19-24-13-14-24)35-31(40)11-5-4-6-12-32(41)36-28-10-8-7-9-27(28)34/h7-10,15-17,22-24,30,39H,4-6,11-14,18-21,34H2,1-3H3,(H,35,40)(H,36,41)/t22-,23+,30-/m0/s1

inchikey

  • ZIBQUKGKRZNQOF-BURCIIJTSA-N

mass

  • 593.758

monoisotopicmass

  • 593.35772

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)CC4CC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113719

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