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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-tic-nle-betaphpro-[s(oxaz)l]-nme2
organooxygen compound > carboxamide > peptide > oligopeptide > ac-cha-gpg-tic-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-tic-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-tic-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-tic-nle-betaphpro-[s(oxaz)l]-nme2

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C54H75N11O9

inchi

  • InChI=1S/C54H75N11O9/c1-5-6-21-40(52(72)64-27-24-39(35-17-11-8-12-18-35)46(64)49(70)59-42(31-66)50-60-43(32-74-50)51(71)62(3)4)58-48(69)44-29-37-19-13-14-20-38(37)30-65(44)53(73)45(36-22-25-63(26-23-36)54(55)56)61-47(68)41(57-33(2)67)28-34-15-9-7-10-16-34/h8,11-14,17-20,32,34,36,39-42,44-46,66H,5-7,9-10,15-16,21-31H2,1-4H3,(H3,55,56)(H,57,67)(H,58,69)(H,59,70)(H,61,68)/t39-,40+,41+,42+,44+,45+,46+/m1/s1

inchikey

  • OXVSRIFAXVPJFG-DXCNFHTMSA-N

mass

  • 1022.24160

monoisotopicmass

  • 1021.57492

smiles

  • CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=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]-1,2,3,4-tetrahydroisoquinolin-3-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)(Tic)(Nle)(betaPhPro)[S(oxaz)L]-NMe2
  • AcChaGpgTicNlebetaPhPro[S(oxaz)L]NMe2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60985

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