1-[3(S)-[[N-(3-benzyloxy-2-naphthoyl)-L-asparaginyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
Basic information
- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2ccccc2cc1OCc1ccccc1- InChIKey
RBSBYLIDBQUJIO-SKXFTCKDSA-N- Molecular formula
- C42H51N5O6
- Average molar mass
- 721.9 g/mol
Names & identifiers
- Preferred name
- 1-[3(S)-[[N-(3-benzyloxy-2-naphthoyl)-L-asparaginyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
- IUPAC
- (2S)-N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(3-phenylmethoxynaphthalene-2-carbonyl)amino]butanediamide
Names & synonyms
SCHEMBL7267259RBSBYLIDBQUJIO-SKXFTCKDSA-N1-[3(S)-[[N-(3-benzyloxy-2-naphthoyl)-L-asparaginyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
Database identifiers
- PubChem CID
- 70041014
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
5 records
Compound notes
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