Molecules/(4S)-4-Amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)amino]pentanoic acid
(4S)-4-Amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)amino]pentanoic acid
(4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentanoic acid
Molecular Identity
(4S)-4-Amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)amino]pentanoic acid
(4S)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentanoic acid
PubChem CID: 9547986
2D Structure
Properties
C13H22N3O7P
Molecular Formula
363.30
Molecular Weight
g/mol
363.1195
Exact Mass
Da
-6.7
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
447
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C(=C1O)CNCC(CCC(=O)O)N)COP(=O)(O)OIsomeric SMILES
SMILES: CC1=NC=C(C(=C1O)CNC[C@H](CCC(=O)O)N)COP(=O)(O)OSynonyms(3)
(4S)-4-AMINO-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]PENTANOIC ACIDEA5Q27459877
Data from PubChem (NCBI)
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Molecular Structure
(4S)-4-Amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)amino]pentanoic acid
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Drug Network
Trials and conditions connected to (4S)-4-Amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)amino]pentanoic acid
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