Apimostinel
(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide
Molecular Identity
Apimostinel
(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide
PubChem CID: 71249967
2D Structure
Properties
C25H37N5O6
Molecular Formula
503.60
Molecular Weight
g/mol
503.2744
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
179
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
834
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)N1CCCC1C(=O)N2CCCC2(CC3=CC=CC=C3)C(=O)NC(C(C)O)C(=O)N)N)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@@]2(CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N)OSynonyms(20)
ApimostinelNRX-1074Apimostinel [USAN]UNII-TTT1F11FZBApimostinel (USAN)NRX1074APIMOSTINEL [INN]Threonyl-prolyl-2R-(2-benzyl)-prolyl-threonine amideAPIMOSTINEL [WHO-DD]L-Threoninamide, L-threonyl-L-prolyl-2-(phenylmethyl)-L-prolyl-L-THREONYL-L-PROLYL-2-BENZYL-L-PROLYL-L-THREONINAMIDE N-METHYL-D-ASPARTATEapimostinelum(2S,3R)-2-(((2R)-1-((2S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)-2-benzylpyrrolidin-2-yl)formamido)-3-hydroxybutanamide(2S,3R)-2-{[(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl]formamido}-3-hydroxybutanamideRefChem:113411
Data from PubChem (NCBI)
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