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CHEBI:63870 - N-(3-{[(N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val
| Formula | C50H74N10O12 |
| Net Charge | 0 |
| Average Mass | 1007.200 |
| Monoisotopic Mass | 1006.54877 |
| SMILES | CC(C)C[C@H](NC(=O)c1cccc(CNC(=O)[C@H](Cc2cnc3ccccc23)NCCNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O |
| InChI | InChI=1S/C50H74N10O12/c1-26(2)20-38(58-45(66)35(51)16-17-40(62)63)47(68)56-29(7)43(64)53-19-18-52-37(23-33-25-54-36-15-10-9-14-34(33)36)46(67)55-24-31-12-11-13-32(22-31)44(65)57-39(21-27(3)4)48(69)60-42(30(8)61)49(70)59-41(28(5)6)50(71)72/h9-15,22,25-30,35,37-39,41-42,52,54,61H,16-21,23-24,51H2,1-8H3,(H,53,64)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,70)(H,60,69)(H,62,63)(H,71,72)/t29-,30+,35-,37-,38-,39-,41-,42-/m0/s1 |
| InChIKey | LUCXYJNVXGTVDX-HMLAGTQQSA-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}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val (CHEBI:63870) has role peptidomimetic (CHEBI:63175) |
| N-(3-{[(N-{2-[(α-Glu-Leu-Ala)NH]ethyl}-Trp)amino]methyl}benzoyl)-Leu-Thr-Val (CHEBI:63870) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| N-(3-{[(N-{2-[(L-α-glutamyl-L-leucyl-L-alanyl)amino]ethyl}-L-tryptophyl)amino]methyl}benzoyl)-L-leucyl-L-threonyl-L-valine |
| Synonyms | Source |
|---|---|
| N-(3-{[(N-{2-[(α-glutamylleucylalanyl)amino]ethyl}tryptophyl)amino]methyl}benzoyl)leucylthreonylvaline | ChEBI |
| ELAG(ΨCH2NH)W-(3-aminomethylbenzoic acid)-LTV | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10758565 | Reaxys |