Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)COS(C)(=O)=O- InChIKey
JHRHVMBZEPZAAL-KIZTWDJQSA-N- Molecular formula
- C41H61N5O10S
- Average molar mass
- 816 g/mol
Names & identifiers
- Preferred name
- (4S,7S,10S,13S,15R)-10-benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-3,6,9,12-tetraazahexadecan-16-yl methanesulfonate
- IUPAC
- [(2R,4S)-2-hydroxy-2,6-dimethyl-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-oxoheptyl] methanesulfonate
Names & synonyms
(4S,7S,10S,13S,15R)-10-benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-3,6,9,12-tetraazahexadecan-16-yl methanesulfonateSCHEMBL15634299JHRHVMBZEPZAAL-KIZTWDJQSA-N1541171-65-6
Database identifiers
- PubChem CID
- 72737693
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 23
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
4 records
Compound notes
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