Molecules/(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
Molecular Identity
(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID: 449408
2D Structure
Properties
C19H22N3O7P
Molecular Formula
435.40
Molecular Weight
g/mol
435.1195
Exact Mass
Da
-1.7
XLogP
Drug-like (Lipinski: < 5)
165
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
633
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C(=C1O)CNC(CC2=CNC3=CC=CC=C32)C(=O)O)COP(=O)(O)OIsomeric SMILES
SMILES: CC1=NC=C(C(=C1O)CN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)COP(=O)(O)OSynonyms(1)
PLT
Data from PubChem (NCBI)
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Molecular Structure
(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
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Drug Network
Trials and conditions connected to (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
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