Basic information
- Standard SMILES
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C.N[C@@H](CCC(=O)O)C(=O)O- InChIKey
HHLFEVBRZDEILI-QLLQWRGVSA-N- Molecular formula
- C39H72N6O13
- Average molar mass
- 833 g/mol
Names & identifiers
- Preferred name
- Pepstatin glutamic acid
- IUPAC
- (2S)-2-aminopentanedioic acid;(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
Names & synonyms
pepstatin glutamic acidHHLFEVBRZDEILI-QLLQWRGVSA-N
Database identifiers
- PubChem CID
- 86736802
Properties
Computed structural properties
- Topological polar surface area
- 324 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 26
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
1 records
Compound notes
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