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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 > tetrapeptide > ac-cha-gpg-tic-nle-nmebn
... > organooxygen compound > carboxamide > peptide > oligopeptide > tetrapeptide > ac-cha-gpg-tic-nle-nmebn
... > 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 > ac-cha-gpg-tic-nle-nmebn
... > 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 > ac-cha-gpg-tic-nle-nmebn
... > 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 > ac-cha-gpg-tic-nle-nmebn

Preferred term

ac-cha-gpg-tic-nle-nmebn  

Type

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

Broader concept

charge

  • 0

formula

  • C43H62N8O5

inchi

  • InChI=1S/C43H62N8O5/c1-4-5-20-35(41(55)49(3)27-31-16-10-7-11-17-31)47-40(54)37-26-33-18-12-13-19-34(33)28-51(37)42(56)38(32-21-23-50(24-22-32)43(44)45)48-39(53)36(46-29(2)52)25-30-14-8-6-9-15-30/h7,10-13,16-19,30,32,35-38H,4-6,8-9,14-15,20-28H2,1-3H3,(H3,44,45)(H,46,52)(H,47,54)(H,48,53)/t35-,36-,37-,38-/m0/s1

inchikey

  • SQKMBJGVJSYLFF-ZQWQDMLBSA-N

mass

  • 771.00300

monoisotopicmass

  • 770.48432

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)N(C)Cc1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (3S)-2-[(2S)-2-[(N-acetyl-3-cyclohexyl-L-alanyl)amino]-2-(1-carbamimidoylpiperidin-4-yl)acetyl]-N-{(2S)-1-[benzyl(methyl)amino]-1-oxohexan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

synonym RELATED

  • Ac-(Cha)(Gpg)(Tic)(Nle)-NMeBn

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60995

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