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

Preferred term

4-[[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H37N3O6

inchi

  • InChI=1S/C32H37N3O6/c1-21-17-35(22(2)20-36)31(38)27-16-26(33-30(37)15-23-7-5-4-6-8-23)13-14-28(27)41-29(21)19-34(3)18-24-9-11-25(12-10-24)32(39)40/h4-14,16,21-22,29,36H,15,17-20H2,1-3H3,(H,33,37)(H,39,40)/t21-,22+,29-/m0/s1

inchikey

  • NFIXFXCEHGPRBV-KERYWQKISA-N

mass

  • 559.654

monoisotopicmass

  • 559.26824

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129925

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