CHEBI:63865 - N-[3-({[N-{2-[(β-Ala-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val

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ChEBI Name N-[3-({[N-{2-[(β-Ala-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val ChEBI ID CHEBI:63865 ChEBI ASCII Name N-[3-({[N-{2-[(beta-Ala-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val Definition An oligopeptide composed of the tripeptide unit β-alanyl-L-leucyl-L-alanyl which is attached via an amide bond to the amino terminus of the pseudopeptide fragment 3-({[N-(2-aminoethyl)-N-(indol-3-ylacetyl)glycyl]amino}methyl)benzoyl, which is in turn attached via an amide bond to the amino terminus of the tripeptide unit L-leucyl-L-threonyl-L-valine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C49H72N10O11 Net Charge 0 Average Mass 977.15640 Monoisotopic Mass 976.53820 InChI InChI=1S/C49H72N10O11/c1-27(2)20-37(55-39(61)16-17-50)46(66)54-30(7)44(64)51-18-19-59(41(63)23-34-25-52-36-15-10-9-14-35(34)36)26-40(62)53-24-32-12-11-13-33(22-32)45(65)56-38(21-28(3)4)47(67)58-43(31(8)60)48(68)57-42(29(5)6)49(69)70/h9-15,22,25,27-31,37-38,42-43,52,60H,16-21,23-24,26,50H2,1-8H3,(H,51,64)(H,53,62)(H,54,66)(H,55,61)(H,56,65)(H,57,68)(H,58,67)(H,69,70)/t30-,31+,37-,38-,42-,43-/m0/s1 InChIKey WOSAWXVQAPBYQA-PSUYFUFXSA-N SMILES CC(C)C[C@H](NC(=O)CCN)C(=O)N[C@@H](C)C(=O)NCCN(CC(=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)C(=O)Cc1c[nH]c2ccccc12 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): peptidomimetic A small protein-like chain designed to mimic a peptide. View more via ChEBI Ontology ChEBI Ontology Outgoing N-[3-({[N-{2-[(β-Ala-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val (CHEBI:63865) has role peptidomimetic (CHEBI:63175) N-[3-({[N-{2-[(β-Ala-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val (CHEBI:63865) is a oligopeptide (CHEBI:25676) IUPAC Name N-[3-({[N-{2-[(β-alanyl-L-leucyl-L-alanyl)amino]ethyl}-N-(1H-indol-3-ylacetyl)glycyl]amino}methyl)benzoyl]-L-leucyl-L-threonyl-L-valine Synonyms Sources βALA-NH-(CH2)2-(COCH2indole)G-(3-aminomethylbenzoic acid)-LTV ChEBI N-[3-({[N-{2-[(β-alanylleucylalanyl)amino]ethyl}-N-(indol-3-ylacetyl)glycyl]amino}methyl)benzoyl]leucylthreonylvaline ChEBI Registry Number Type Source 10758253 Reaxys Registry Number Reaxys Citation Type Source 20806940 PubMed citation Europe PMC Last Modified 09 February 2012