N-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl]-L-alanyl-N1-isobutyl-L-valinamide
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Basic information
- Standard SMILES
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C- InChIKey
JPOJITLKINNRGX-BVSLBCMMSA-N- Molecular formula
- C26H44N4O4
- Average molar mass
- 476.7 g/mol
Names & identifiers
- Preferred name
- N-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl]-L-alanyl-N1-isobutyl-L-valinamide
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL6294188JPOJITLKINNRGX-BVSLBCMMSA-NN-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl]-L-alanyl-N1-isobutyl-L-valinamide
Database identifiers
- PubChem CID
- 69734334
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 639
Related reactions
1 records
Compound notes
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