Acetylthreonyl-leucyl-asparaginyl-phenylalanine
PubChem CID
132053
Structure
Molecular Formula
Synonyms
- 137372-00-0
- Acetylthreonyl-leucyl-asparaginyl-phenylalanine
- Ac-Thr-leu-asn-phe-cooh
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoic acid
- N-(N2-(N-(N-Acetyl-L-threonyl)-L-leucyl)-L-asparaginyl)-L-phenylalanine
Molecular Weight
535.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-01
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
SVG Image
IUPAC Condensed
Ac-Thr-Leu-Asn-Phe-OH
Sequence
TLNF
PLN
[acetyl]-TLNF-OH
HELM
PEPTIDE1{[ac].T.L.N.F}$$$$
IUPAC
N-acetyl-L-threonyl-L-leucyl-L-asparagyl-L-phenylalanine
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C25H37N5O8/c1-13(2)10-17(29-24(36)21(14(3)31)27-15(4)32)22(34)28-18(12-20(26)33)23(35)30-19(25(37)38)11-16-8-6-5-7-9-16/h5-9,13-14,17-19,21,31H,10-12H2,1-4H3,(H2,26,33)(H,27,32)(H,28,34)(H,29,36)(H,30,35)(H,37,38)/t14-,17+,18+,19+,21+/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COBFYEGBXADZJP-WMJIZHEVSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C25H37N5O8
Computed by PubChem 2.2 (PubChem release 2021.10.14)
137372-00-0
- Ac-Thr-Leu-Asn-Phe-COOH
- acetylthreonyl-leucyl-asparaginyl-phenylalanine
- 137372-00-0
- Acetylthreonyl-leucyl-asparaginyl-phenylalanine
- Ac-Thr-leu-asn-phe-cooh
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoic acid
- N-(N2-(N-(N-Acetyl-L-threonyl)-L-leucyl)-L-asparaginyl)-L-phenylalanine
- Ac-Thr-Leu-Asn-Phe
- L-Phenylalanine, N-(N2-(N-(N-acetyl-L-threonyl)-L-leucyl)-L-asparaginyl)-
- (Ac)TLNF
- (Acetyl)Thr-Leu-Asn-Phe
- CHEMBL165284
- DTXSID30929775
- (2S,5S,8S,11S)-5-(2-amino-2-oxoethyl)-2-benzyl-11-((R)-1-hydroxyethyl)-8-isobutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecan-1-oic acid
- N-(2-{[2-({1,3-Dihydroxy-2-[(1-hydroxyethylidene)amino]butylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1,4-dihydroxy-4-iminobutylidene)phenylalanine
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
535.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-0.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
15
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
535.26421316 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
535.26421316 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
217 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
38
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
859
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusAcetylthreonyl-leucyl-asparaginyl-phenylalaninehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0137372000ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxN-(2-{[2-({1,3-Dihydroxy-2-[(1-hydroxyethylidene)amino]butylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1,4-dihydroxy-4-iminobutylidene)phenylalaninehttps://comptox.epa.gov/dashboard/DTXSID30929775CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- WikidataN-(2-{[2-({1,3-Dihydroxy-2-[(1-hydroxyethylidene)amino]butylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1,4-dihydroxy-4-iminobutylidene)phenylalaninehttps://www.wikidata.org/wiki/Q82904872
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlacetylthreonyl-leucyl-asparaginyl-phenylalaninehttps://www.ncbi.nlm.nih.gov/mesh/67070511
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS