Basic information
- Standard SMILES
CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N[C@@H](CC)c1ccccc1- InChIKey
WXIYBNQHHBOYTO-BZSNNMDCSA-N- Molecular formula
- C21H34N2O4
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 3(S)-(tert-butoxyformamido)-2(S)-hydroxy-N-(1(S)-phenylpropyl)heptanamide
- IUPAC
- tert-butyl N-[(2S,3S)-2-hydroxy-1-oxo-1-[[(1S)-1-phenylpropyl]amino]heptan-3-yl]carbamate
Names & synonyms
SCHEMBL7439028WXIYBNQHHBOYTO-BZSNNMDCSA-N3(S)-(tert-butoxyformamido)-2(S)-hydroxy-N-(1(S)-phenylpropyl)heptanamide
Database identifiers
- PubChem CID
- 20639979
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Linked notes
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