Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN1CCN[C@@H](CCCNC(=O)OC(C)(C)C)C1=O.O=C(O)C(=O)O- InChIKey
JKTRVNAXZVYWTN-ZOWNYOTGSA-N- Molecular formula
- C20H35N3O9
- Average molar mass
- 461.5 g/mol
Names & identifiers
- Preferred name
- (s)-3-(3-t-Butoxycarbonylaminopropyl)-2-oxopiperazine-1-acetic acid t-butyl ester oxalate
- IUPAC
- tert-butyl 2-[(3S)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetate;oxalic acid
Names & synonyms
SCHEMBL7286374JKTRVNAXZVYWTN-ZOWNYOTGSA-N(s)-3-(3-t-butoxycarbonylaminopropyl)-2-oxopiperazine-1-acetic acid t-butyl ester oxalate
Database identifiers
- PubChem CID
- 70045951
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Related reactions
4 records
Compound notes
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