Basic information
- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)OC(C)(C)C- InChIKey
SPEBIMHLCIGLPH-CWBXHPNXSA-N- Molecular formula
- C28H46N4O5S
- Average molar mass
- 550.8 g/mol
Names & identifiers
- Preferred name
- 1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
- IUPAC
- tert-butyl N-[(2R)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL7269359SPEBIMHLCIGLPH-CWBXHPNXSA-N1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
Database identifiers
- PubChem CID
- 86746292
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 776
Related reactions
10 records
Compound notes
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