Molecules/3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
Molecular Identity
3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
PubChem CID: 163410396
2D Structure
Properties
C23H26F2N2O7S2
Molecular Formula
544.60
Molecular Weight
g/mol
544.1149
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
151
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
784
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C(C(=O)OCC1=C(C=C(C=C1)F)F)NCC(C(=O)S)NC(=O)COC2=CC=CC=C2)S(=O)OIsomeric SMILES
SMILES: CC(C)([C@H](C(=O)OCC1=C(C=C(C=C1)F)F)NCC(C(=O)S)NC(=O)COC2=CC=CC=C2)S(=O)OSynonyms(1)
IFO
Data from PubChem (NCBI)
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Molecular Structure
3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
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Drug Network
Trials and conditions connected to 3-[[(2S)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic S-acid
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