L-Isoleucyl-L-tryptophan
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular Identity
L-Isoleucyl-L-tryptophan
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID: 7019085
Ile-Trp is a dipeptide formed from L-isoleucine and L-tryptophan residues. It has a role as a metabolite.
2D Structure
Properties
C17H23N3O3
Molecular Formula
317.40
Molecular Weight
g/mol
317.1739
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
429
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NSynonyms(20)
13589-06-5Ile-TrpL-ISOLEUCYL-L-TRYPTOPHANAY4YUP87RZCHEBI:74080DTXSID101029559RefChem:1088202DTXCID401514783H-ILE-TRP-OHIsoleucyl-TryptophanL-Ile-L-Trp(S)-2-((2S,3S)-2-Amino-3-methylpentanamido)-3-(1H-indol-3-yl)Propanoic acidMFCD00190934L-Tryptophan, L-isoleucyl-CHEMBL56923
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-Isoleucyl-L-tryptophan
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