Basic information
- Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)CN(C)C(=O)[C@@](N)(CCCC(N)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C- InChIKey
QPMQLEWNNPWYKS-ZRCWJPRMSA-N- Molecular formula
- C28H42N4O8
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.30026431
Names & identifiers
- Preferred name
- alpha-tertiary butyloxycarbonyl-epsilon-benzyloxycarbonyl-L-lysylsarcosyl-L-proline methyl ester
- IUPAC
- 7-O-benzyl 1-O-tert-butyl (2S)-2,6-diamino-2-[[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxoethyl]-methylcarbamoyl]heptanedioate
Names & synonyms
QPMQLEWNNPWYKS-ZRCWJPRMSA-Nalpha-tertiary butyloxycarbonyl-epsilon-benzyloxycarbonyl-L-lysyl-sarcosyl-L-proline methyl esteralpha-tertiary butyloxycarbonyl-epsilon-benzyloxycarbonyl-L-lysylsarcosyl-L-proline methyl ester
Database identifiers
- PubChem CID
- 86741546
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 914
Related reactions
2 records
Compound notes
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