(2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide
Basic information
- CAS
169305-69-5- Standard SMILES
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2ccc(OC)cc2O)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnnn2C)C(C)(C)C)cc1- InChIKey
FXCOLMDDHSTZIY-RCNBIBPKSA-N- Molecular formula
- C42H57N9O8S
- Average molar mass
- 848 g/mol
- Monoisotopic mass
- 847.40508098
Names & identifiers
- Preferred name
- (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide
- IUPAC
- (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide
- English name
- (2R,3S,4S)-N-[4-[3-hydroxy-2-(4-methoxybenzylamino)[[N-[(1-methyl-1,3, 4,5-tetrazol-2-thiaocetyl)tert.leucinyl]amino]-5-phenylpentanoyl]valin e 2-hydroxy-4-methoxy-benzylamide
- Molecular formula
- C42H57N9O8S
- Molecular weight
- 848.02
Names & synonyms
169305-69-5L-Lyxonamide, 2,4,5-trideoxy-4-((3,3-dimethyl-2-((((1-methyl-1H-tetrazol-5-yl)thio)acetyl)amino)-1-oxobutyl)amino)-N-(1-((((2-hydroxy-4-methoxyphenyl)methyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-, (1(S),4(S))-(2R,3S,4S)-N-(4-(3-hydroxy-2-(4-methoxybenzylamino)((N-((1-methyl-1,3,4,5-tetrazol-2-thiaocetyl)tert.leucinyl)amino)-5-phenylpentanoyl)valine 2-hydroxy-4-methoxy-benzylamide(2R,3S,4S)-N-[4-[3-hydroxy-2-(4-methoxybenzylamino)[[N-[(1-methyl-1,3,4,5-tetrazol-2-thiaocetyl)tert.leucinyl]amino]-5-phenylpentanoyl]valine 2-hydroxy-4-methoxy-benzylamideL-Lyxonamide, 2,4,5-trideoxy-4-[[3,3-dimethyl-2-[[[(1-methyl-1H-tetrazol-5-yl)thio]acetyl]amino]-1-oxobutyl]amino]-N-[1-[[[(2-hydroxy-4-methoxyphenyl)methyl]amino]carbonyl]-2-methylpropyl]-2-[[(4-methoxyphenyl)methyl]amino]-5-phenyl-, [1(S),4(S)]-(2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]butanamide
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 22
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,350
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