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N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val
An oligopeptide composed of the tripeptide unit beta-alanyl-L-leucyl-L-alanyl which is connected via an aminoethyl spacer to the amino terminus of the pseudopeptide fragment N-{3-[(L-tryptophylamino)methyl]benzoyl}-L-leucyl-L-threonyl-L-valine.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > peptidomimetic [CHEBI:63175]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 peptidomimetic [CHEBI:63175] (9) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val [CHEBI:63871] (1)
ChEBI Compound Accession Identifier  [CHEBI:63871]
ChEBI Compound Description  An oligopeptide composed of the tripeptide unit beta-alanyl-L-leucyl-L-alanyl which is connected via an aminoethyl spacer to the amino terminus of the pseudopeptide fragment N-{3-[(L-tryptophylamino)methyl]benzoyl}-L-leucyl-L-threonyl-L-valine.
ChEBI Compound Identification Number  63871
ChEBI InChI Value  InChI=1S/C48H72N10O10/c1-26(2)20-37(55-39(60)16-17-49)45(64)54-29(7)42(61)51-19-18-50-36(23-33-25-52-35-15-10-9-14-34(33)35)44(63)53-24-31-12-11-13-32(22-31)43(62)56-38(21-27(3)4)46(65)58-41(30(8)59)47(66)57-40(28(5)6)48(67)68/h9-15,22,25-30,36-38,40-41,50,52,59H,16-21,23-24,49H2,1-8H3,(H,51,61)(H,53,63)(H,54,64)(H,55,60)(H,56,62)(H,57,66)(H,58,65)(H,67,68)/t29-,30+,36-,37-,38-,40-,41-/m0/s1
ChEBI InChIKey Value  UXPAANVOZHSFOS-IUSUHJFCSA-N
ChEBI Compound Name  N-(3-{[(N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val
ChEBI SMILES Value  CC(C)C[C@H](NC(=O)CCN)C(=O)N[C@@H](C)C(=O)NCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
ChEBI Substance ID  135610722
ChEBI URL  ChEBI:63871
ChemSpider ID  27471332
Ontomatica Chemical Accession Key (OnChAKey)  UXPAANVOZHSFOS_IUSUHJFCSA_N_000_000000
PubChem Compound ID  49782568