N-((1-(1,1'-Biphenyl)-4-yl-1-methylethoxy)carbonyl)-L-isoleucine
Basic information
- CAS
47553-71-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
MKKCVNJPERCQBR-KXBFYZLASA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- N-((1-(1,1'-Biphenyl)-4-yl-1-methylethoxy)carbonyl)-L-isoleucine
- IUPAC
- (2S,3S)-3-methyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]pentanoic acid
- English name
- N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-isoleucine
- Molecular formula
- C22H27NO4
- Molecular weight
- 369.45
Names & synonyms
47553-71-9EINECS 256-320-8N-((1-(1,1'-Biphenyl)-4-yl-1-methylethoxy)carbonyl)-L-isoleucineDTXSID90197195N-[(1-[1,1'-Biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-isoleucineRefChem:161359DTXCID00119686256-320-8MKKCVNJPERCQBR-KXBFYZLASA-NNS00031702N-({[2-([1,1'-Biphenyl]-4-yl)propan-2-yl]oxy}carbonyl)-L-isoleucineL-Isoleucine, N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-
Database identifiers
- CAS
47553-71-9- PubChem CID
- 6452093
- DTXSID
DTXSID90197195- EC Number
- 256-320-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
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Related reactions
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Compound notes
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