tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
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Basic information
- CAS
162540-90-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCN2CCOC2=O)cc1)NC(=O)OC(C)(C)C- InChIKey
SGPZLDNIZDMEIK-VZNYXHRGSA-N- Molecular formula
- C35H52N4O9
- Average molar mass
- 672.8 g/mol
- Monoisotopic mass
- 672.37342925
Names & identifiers
- Preferred name
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
- English name
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-1 1-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylme thyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-
- Molecular formula
- C35H52N4O9
- Molecular weight
- 672.81
Names & synonyms
162540-90-112-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(2-(2-oxo-3-oxazolidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-[[4-[2-(2-oxo-3-oxazolidinyl)ethoxy]phenyl]methyl]-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-BDBM680CHEMBL60782DTXSID20167402(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-(2-oxo-3-oxazolidinyl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl estertert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-{4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 988
Physicochemical properties
- Boiling point
- 862.951 · 862.951±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.902 · 11.902±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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