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3-(4-(1-(2,2-Dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)(N-(t-butoxycarbonyl)-3-methylisoxazol-5-ylaminomethyl)oxazolidin-2-one

HCID 57174176
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(N(C[C@H]2CN(c3cc(F)c(C4=CCN(C(=O)[C@@H]5COC(C)(C)O5)CC4)c(F)c3)C(=O)O2)C(=O)OC(C)(C)C)on1
InChIKey
SARIITWKBXJQKU-OFNKIYASSA-N
Molecular formula
C30H36F2N4O8
Average molar mass
618.6 g/mol

Names & identifiers

Preferred name
3-(4-(1-(2,2-Dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)(N-(t-butoxycarbonyl)-3-methylisoxazol-5-ylaminomethyl)oxazolidin-2-one
IUPAC
tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(3-methyl-1,2-oxazol-5-yl)carbamate

Names & synonyms

SCHEMBL5833969SARIITWKBXJQKU-OFNKIYASSA-N3-(4-(1-(2,2-Dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)(N-(t-butoxycarbonyl)-3-methylisoxazol-5-ylaminomethyl)oxazolidin-2-one3-(4-(1-(2,2-Dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-(N-(t-butoxycarbonyl)-3-methylisoxazol-5-ylaminomethyl)oxazolidin-2-one

Database identifiers

PubChem CID
57174176

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
124 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
44
Formal charge
0
Complexity
1,120

Related reactions

3 records
New reaction record
HRID 8173 reaction equation
HRID 8173As reactantuspto-grants-2006_08
HRID 8178 reaction equation
HRID 8178As productuspto-grants-2006_08
HRID 1582356 reaction equation
HRID 1582356As reactantuspto-grants-2004_05

Compound notes

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