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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 > peptide > oligopeptide > (3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
organooxygen compound > carboxamide > peptide > oligopeptide > (3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > (3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > (3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > (3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone

Preferred term

(3s,9s,14ar)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40N4O5

inchi

  • InChI=1S/C28H40N4O5/c1-4-20(33)14-9-6-10-15-21-24(34)31-28(2,3)27(37)30-22(18-19-12-7-5-8-13-19)26(36)32-17-11-16-23(32)25(35)29-21/h5,7-8,12-13,21-23H,4,6,9-11,14-18H2,1-3H3,(H,29,35)(H,30,37)(H,31,34)/t21-,22-,23+/m0/s1

inchikey

  • HNGIDTWZBOOVGG-RJGXRXQPSA-N

mass

  • 512.651

monoisotopicmass

  • 512.29987

smiles

  • O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(NC1(C)C)=O)CCCCCC(=O)CC)CCC2)CC3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200158

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