Basic information
- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
NBDRVLNUYUZAJB-DTXPUJKBSA-N- Molecular formula
- C36H52N4O8
- Average molar mass
- 668.8 g/mol
- Monoisotopic mass
- 668.37851463
Names & identifiers
- Preferred name
- Nepsilon-Benzyloxycarbonyl-Nalpha-(tert-butoxycarbonyl)-L-lysyl-L-phenylalanyl-L-leucine ethyl ester
- IUPAC
- ethyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]pentanoate
Names & synonyms
NBDRVLNUYUZAJB-DTXPUJKBSA-NNepsilon -Benzyloxycarbonyl-Nalpha -(tert-butoxycarbonyl)-L-lysyl-L-phenylalanyl-L-leucine ethyl ester
Database identifiers
- PubChem CID
- 15021173
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
3 records
Compound notes
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