Butanoic acid, 4-(((1S,2R)-2-hydroxy-3-((3-methylbutyl)(phenylsulfonyl)amino)-1-(phenylmethyl)propyl)amino)-2,2,3-trimethyl-4-oxo-, (3R)-
Basic information
- CAS
157445-98-2- Standard SMILES
CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)(C)C(=O)O)S(=O)(=O)c1ccccc1- InChIKey
YFQNDIDUIAZDMK-GVXSCFBNSA-N- Molecular formula
- C28H40N2O6S
- Average molar mass
- 532.7 g/mol
- Monoisotopic mass
- 532.26070817
Names & identifiers
- Preferred name
- Butanoic acid, 4-(((1S,2R)-2-hydroxy-3-((3-methylbutyl)(phenylsulfonyl)amino)-1-(phenylmethyl)propyl)amino)-2,2,3-trimethyl-4-oxo-, (3R)-
- IUPAC
- (3R)-4-[[(2S,3R)-4-[benzenesulfonyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid
Names & synonyms
SC 98A157445-98-2DTXSID10166262Butanoic acid, 4-(((1S,2R)-2-hydroxy-3-((3-methylbutyl)(phenylsulfonyl)amino)-1-(phenylmethyl)propyl)amino)-2,2,3-trimethyl-4-oxo-, (3R)-(3R)-4-({(2S,3R)-3-Hydroxy-4-[N-(3-methylbutyl)benzenesulfonamido]-1-phenylbutan-2-yl}amino)-2,2,3-trimethyl-4-oxobutanoic acidButanoic acid, 4-((2-hydroxy-3-((3-methylbutyl)(phenylsulfonyl)amino)-1-(phenylmethyl)propyl)amino)-2,2,3-trimethyl-4-oxo-, (1S-(1R*(S*),2S*))-
Database identifiers
- CAS
157445-98-2- PubChem CID
- 177993
- DTXSID
DTXSID10166262- Nikkaji
- J706.031I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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