Rapastinel
(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
Rapastinel
(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 14539800
2D Structure
Properties
C18H31N5O6
Molecular Formula
413.50
Molecular Weight
g/mol
413.2274
Exact Mass
Da
-2.8
XLogP
Drug-like (Lipinski: < 5)
179
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
659
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rapastinel117928-94-6TPPT-amideGLYX-13RapastinelumGLYX-13 peptideL-Threoninamide, L-threonyl-L-prolyl-L-prolyl-6A1X56B95EDTXSID501030481RefChem:178642DTXCID001515565(2S,3R)-2-(((2S)-1-((2S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)pyrrolidin-2-yl)formamido)-3-hydroxybutanamideGLYX 13GLYX13(S)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-1-((S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
Data from PubChem (NCBI)
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