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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 > ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2
organooxygen compound > carboxamide > peptide > oligopeptide > ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2
... > 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 > ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2

Preferred term

ac-cha-gpg-disc-nle-betaphpro-[s(oxaz)l]-nme2  

Type

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

Broader concept

charge

  • 0

formula

  • C53H73N11O9

inchi

  • InChI=1S/C53H73N11O9/c1-5-6-21-39(51(71)63-27-24-38(34-17-11-8-12-18-34)44(63)47(68)58-41(30-65)49-59-42(31-73-49)50(70)61(3)4)57-48(69)45-37-20-14-13-19-36(37)29-64(45)52(72)43(35-22-25-62(26-23-35)53(54)55)60-46(67)40(56-32(2)66)28-33-15-9-7-10-16-33/h8,11-14,17-20,31,33,35,38-41,43-45,65H,5-7,9-10,15-16,21-30H2,1-4H3,(H3,54,55)(H,56,66)(H,57,69)(H,58,68)(H,60,67)/t38-,39+,40+,41+,43+,44+,45+/m1/s1

inchikey

  • OUOIXSGQETWBKO-NIGJHBLGSA-N

mass

  • 1008.21500

monoisotopicmass

  • 1007.55927

smiles

  • CCCC[C@H](NC(=O)[C@H]1N(Cc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(CC1)C(N)=N)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • N-({(3S)-2-[(2S)-2-[(N-acetyl-3-cyclohexyl-L-alanyl)amino]-2-(1-carbamimidoylpiperidin-4-yl)acetyl]isoindol-2-yl}carbonyl)-L-norleucyl-(3R)-N-{(1S)-1-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-2-hydroxyethyl}-3-phenyl-L-prolinamide

synonym RELATED

  • Ac-(Cha)(Gpg)(Disc)(Nle)(betaPhPro)[S(oxaz)L]-NMe2
  • AcChaGpgDiscNlebetaPhPro[S(oxaz)L]NMe2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60986

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