Basic information
- Standard SMILES
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1- InChIKey
HYPWWNMSWMOBQD-ZWKOTPCHSA-N- Molecular formula
- C25H31ClN4O6S2
- Average molar mass
- 583.1 g/mol
Names & identifiers
- Preferred name
- N2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl) carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamide
- IUPAC
- tert-butyl N-[(2R)-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL77420HYPWWNMSWMOBQD-ZWKOTPCHSA-NN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl) carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamideN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamideN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methionineamide
Database identifiers
- PubChem CID
- 58777723
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 852
Related reactions
6 records
Compound notes
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