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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > acetamides > n-[(2r,3s)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide
organooxygen compound > carboxamide > acetamides > n-[(2r,3s)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > acetamides > n-[(2r,3s)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide

Preferred term

n-[(2r,3s)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-2-phenylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C32H36N4O7

inchi

  • InChI=1S/C32H36N4O7/c1-20-16-36(21(2)18-37)31(39)25-14-23(33-30(38)13-22-7-5-4-6-8-22)9-11-26(25)43-29(20)17-35(3)32(40)34-24-10-12-27-28(15-24)42-19-41-27/h4-12,14-15,20-21,29,37H,13,16-19H2,1-3H3,(H,33,38)(H,34,40)/t20-,21-,29-/m0/s1

inchikey

  • UVTNCBQHXJQZIN-WURXVLGASA-N

mass

  • 588.652

monoisotopicmass

  • 588.25840

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113853

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