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Chemistry, part 1

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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 > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2r,3s)-10-[[anilino(oxo)methyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2r,3s)-10-[[anilino(oxo)methyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2r,3s)-10-[[anilino(oxo)methyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

Preferred term

n-(2-aminophenyl)-4-[[[(2r,3s)-10-[[anilino(oxo)methyl]amino]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C37H42N6O5

inchi

  • InChI=1S/C37H42N6O5/c1-24-20-43(25(2)23-44)36(46)29-12-9-15-32(41-37(47)39-28-10-5-4-6-11-28)34(29)48-33(24)22-42(3)21-26-16-18-27(19-17-26)35(45)40-31-14-8-7-13-30(31)38/h4-19,24-25,33,44H,20-23,38H2,1-3H3,(H,40,45)(H2,39,41,47)/t24-,25+,33-/m0/s1

inchikey

  • XHCFGJIATIGRMD-DVIHYUSWSA-N

mass

  • 650.768

monoisotopicmass

  • 650.32167

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126253

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