Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(O)CNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl- InChIKey
WQVRVXYZBQUPCQ-WSXWNZDHSA-N- Molecular formula
- C36H45Cl2N5O7
- Average molar mass
- 730.7 g/mol
Names & identifiers
- Preferred name
- Nalpha-benzyloxycarbonyl-Nepsilon-tert.-butoxycarbonyl-L-lysine-3-{2-[2-(2,6-dichlorophenylamino)-phenyl]-acetylamino}-2-hydroxypropylamide
- IUPAC
- benzyl N-[(2S)-1-[[3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-2-hydroxypropyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
Names & synonyms
WQVRVXYZBQUPCQ-WSXWNZDHSA-NNalpha -benzyloxycarbonyl-Nepsilon -tert.-butoxycarbonyl-L-lysine-3-{2-[2-(2,6-dichlorophenylamino)-phenyl]-acetylamino}-2-hydroxypropylamide
Database identifiers
- PubChem CID
- 13772485
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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