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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > oligopeptide > tetrapeptide > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
... > organooxygen compound > carboxamide > peptide > oligopeptide > tetrapeptide > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > tetrapeptide > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > tetrapeptide > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate
... > 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 > tetrapeptide > methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate

Preferred term

methyl 1-/{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl/}-l-prolyl-beta-phenyl-l-phenylalaninate  

Type

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

charge

  • 0

formula

  • C33H44N4O5

has_role

inchi

  • InChI=1S/C33H44N4O5/c1-22(34-2)30(38)35-28(25-18-11-6-12-19-25)32(40)37-21-13-20-26(37)31(39)36-29(33(41)42-3)27(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-5,7-10,14-17,22,25-29,34H,6,11-13,18-21H2,1-3H3,(H,35,38)(H,36,39)/t22-,26-,28-,29-/m0/s1

inchikey

  • UUPZYAHONNHULX-CJBSCAABSA-N

mass

  • 576.72642

monoisotopicmass

  • 576.33117

smiles

  • CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC

subset

  • 3_STAR

synonym EXACT

  • methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:47922

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