Benzyl (1S,3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentylcarbamate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc(-c2ccccn2)cc1)NC(=O)OCc1ccccc1- InChIKey
TXPZELPYOPHDQL-RGRQWMLTSA-N- Molecular formula
- C36H41N3O5
- Average molar mass
- 595.7 g/mol
- Monoisotopic mass
- 595.30462142
Names & identifiers
- Preferred name
- Benzyl (1S,3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentylcarbamate
- IUPAC
- benzyl N-[(2S,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]carbamate
Names & synonyms
TXPZELPYOPHDQL-RGRQWMLTSA-NBenzyl (1S,3S,4S)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentylcarbamatebenzyl(1s,3s,4s)-4-[(tert-butoxycarbonyl)amino]-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentylcarbamate
Database identifiers
- PubChem CID
- 11548871
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 843
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Related reactions
3 records
Compound notes
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