Glu-Asp-Ile
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
Molecular Identity
Glu-Asp-Ile
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
PubChem CID: 71464589
Glu-Asp-Ile is a tripeptide composed of L-glutamic acid, L-aspartic acid and L-isoleucine joined in sequence by peptide linkages. It has a role as a metabolite. It is functionally related to a L-glutamic acid, a L-aspartic acid and a L-isoleucine.
2D Structure
Properties
C15H25N3O8
Molecular Formula
375.37
Molecular Weight
g/mol
375.1642
Exact Mass
Da
-3.4
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
551
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NSynonyms(13)
Glu-Asp-IleL-Glu-L-Asp-L-IleE-D-ICHEBI:73491L-Glutamyl-L-aspartyl-L-isoleucineL-alpha-glutamyl-L-alpha-aspartyl-L-isoleucine(2S,3S)-2-(((2S)-2-(((2S)-2-amino-4-carboxybutanoyl)amino)-3-carboxypropanoyl)amino)-3-methylpentanoic acid(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acidRefChem:143536Glutamyl-aspartyl-isoleucineSCHEMBL29366194Q27140570EDI
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Glu-Asp-Ile
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