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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 > amide > primary amide > ureas > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
organooxygen compound > carboxamide > secondary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > tertiary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
organooxygen compound > carboxamide > tertiary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

Preferred term

n-[(2s,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38N6O5

inchi

  • InChI=1S/C28H38N6O5/c1-18-15-34(19(2)17-35)27(37)21-10-7-11-22(32-26(36)23-14-29-12-13-30-23)25(21)39-24(18)16-33(3)28(38)31-20-8-5-4-6-9-20/h7,10-14,18-20,24,35H,4-6,8-9,15-17H2,1-3H3,(H,31,38)(H,32,36)/t18-,19+,24-/m1/s1

inchikey

  • IXPHPSYGEXXAJO-YDIMBITNSA-N

mass

  • 538.640

monoisotopicmass

  • 538.29037

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)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:123740

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