Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)-
Basic information
- CAS
868565-57-5- Standard SMILES
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F- InChIKey
DSKYVBHHQFETQW-KSSFIOAISA-N- Molecular formula
- C26H28F4N2O7
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.18326388
Names & identifiers
- Preferred name
- Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)-
- IUPAC
- tert-butyl (3S)-4-oxo-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
- English name
- Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-
- Molecular formula
- C26H28F4N2O7
- Molecular weight
- 556.5
Names & synonyms
868565-57-5(S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoatePentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)-tert-butyl (3S)-4-oxo-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoateSCHEMBL17261859C26H28F4N2O7DTXSID301102218CS-M1507MFCD22572801AKOS037649955CS-13945Pentanoic acid,4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)-,1,1-diMethylethyl ester,(3S)-
Show more names
(S)-tert-butyl3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate1,1-Dimethylethyl (3S)-4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoatetert-butyl (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 837
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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