((2(S)-Benzoylamino-3-methylbutyryl)-(3-Bocaminobenzyl)amino)acetic Acid Ethyl Ester
Basic information
- Standard SMILES
CCOC(=O)CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C- InChIKey
ZIIJRUWHPDFJMF-DEOSSOPVSA-N- Molecular formula
- C28H37N3O6
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.26823591
Names & identifiers
- Preferred name
- ((2(S)-Benzoylamino-3-methylbutyryl)-(3-Bocaminobenzyl)amino)acetic Acid Ethyl Ester
- IUPAC
- ethyl 2-[[(2S)-2-benzamido-3-methylbutanoyl]-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]acetate
Names & synonyms
SCHEMBL6260244ZIIJRUWHPDFJMF-DEOSSOPVSA-N((2(S)-Benzoylamino-3-methylbutyryl)-(3-Bocaminobenzyl)amino)acetic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 54548631
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 772
Related reactions
3 records
Compound notes
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