Ile-Ser
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
Molecular Identity
Ile-Ser
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
PubChem CID: 7021816
Ile-Ser is a dipeptide formed from L-isoleucine and L-serine residues. It has a role as a metabolite.
2D Structure
Properties
C9H18N2O4
Molecular Formula
218.25
Molecular Weight
g/mol
218.1267
Exact Mass
Da
-3.3
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
232
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(CO)C(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NSynonyms(20)
Ile-SerL-isoleucyl-L-serineIsoleucyl-SerineL-Ile-L-Ser(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoic acidIS dipeptideI-S DipeptideIsoleucine Serine dipeptideIsoleucine-Serine dipeptide2-((2-Amino-1-hydroxy-3-methylpentylidene)amino)-3-hydroxypropanoate2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-hydroxypropanoate(2S)-2-(((2S,3S)-2-amino-3-methylpentanoyl)amino)-3-hydroxypropanoic acid(2S)-2-(((2S,3S)-2-azaniumyl-3-methylpentanoyl)amino)-3-hydroxypropanoate(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-hydroxypropanoateRefChem:147814
Data from PubChem (NCBI)
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Drug Network
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