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CHEBI:63869 - N-[3-({[N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val

ChEBI IDCHEBI:63869
ChEBI NameN-[3-({[N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val
Stars
ASCII NameN-[3-({[N-{2-[(alpha-Glu-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val
DefinitionAn oligopeptide composed of the tripeptide unit L-α-glutamyl-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.
Last Modified9 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC51H74N10O13
Net Charge0
Average Mass1035.210
Monoisotopic Mass1034.54368
SMILESCC(C)C[C@H](NC(=O)c1cccc(CNC(=O)CN(CCNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)Cc2cnc3ccccc23)c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
InChIInChI=1S/C51H74N10O13/c1-27(2)20-38(58-47(69)36(52)16-17-42(65)66)48(70)56-30(7)45(67)53-18-19-61(41(64)23-34-25-54-37-15-10-9-14-35(34)37)26-40(63)55-24-32-12-11-13-33(22-32)46(68)57-39(21-28(3)4)49(71)60-44(31(8)62)50(72)59-43(29(5)6)51(73)74/h9-15,22,25,27-31,36,38-39,43-44,54,62H,16-21,23-24,26,52H2,1-8H3,(H,53,67)(H,55,63)(H,56,70)(H,57,68)(H,58,69)(H,59,72)(H,60,71)(H,65,66)(H,73,74)/t30-,31+,36-,38-,39-,43-,44-/m0/s1
InChIKeyLAHWIXDTTNLOHD-FBJVAKPVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
peptidomimetic  A small protein-like chain designed to mimic a peptide.
ChEBI Ontology
Outgoing Relation(s)
N-[3-({[N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val (CHEBI:63869) has role peptidomimetic (CHEBI:63175)
N-[3-({[N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-N-(indol-3-ylacetyl)Gly]amino}methyl)benzoyl]-Leu-Thr-Val (CHEBI:63869) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[3-({[N-{2-[(L-α-glutamyl-L-leucyl-L-alanyl)amino]ethyl}-N-(1H-indol-3-ylacetyl)glycyl]amino}methyl)benzoyl]-L-leucyl-L-threonyl-L-valine
Synonyms  Source
ELA-NH-(CH2)2-(COCH2indole)G-(3-aminomethylbenzoic acid)-LTVChEBI
N-[3-({[N-{2-[(glutamylleucylalanyl)amino]ethyl}-N-(indol-3-ylacetyl)glycyl]amino}methyl)benzoyl]leucylthreonylvalineChEBI
Citations