[(5S)-3-(5-{2-Fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl N,N-diethyl-beta-alaninate

HCID 58653752
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Basic information

Standard SMILES
CCN(CC)CCC(=O)OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIKey
QIXLMKBCVDOZSH-VXKWHMMOSA-N
Molecular formula
C28H32FN7O5
Average molar mass
565.6 g/mol

Names & identifiers

Preferred name
[(5S)-3-(5-{2-Fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl N,N-diethyl-beta-alaninate
IUPAC
[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 3-(diethylamino)propanoate

Names & synonyms

QIXLMKBCVDOZSH-VXKWHMMOSA-N[(5S)-3-(5-{2-Fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl N,N-diethyl-beta-alaninate

Database identifiers

PubChem CID
58653752

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
124 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
13
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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