Basic information
- Standard SMILES
CCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC.Cl- InChIKey
FVGPCNOYOPGRGS-FHGSKDHASA-N- Molecular formula
- C15H29ClN4O5S
- Average molar mass
- 412.9 g/mol
Names & identifiers
- Preferred name
- L-methionyl-L-aspartyl-D-alanine n-propylamide hydrochloride
- IUPAC
- (3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-oxo-4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid;hydrochloride
Names & synonyms
SCHEMBL11701199FVGPCNOYOPGRGS-FHGSKDHASA-NL-methionyl-L-aspartyl-D-alanine n-propylamide hydrochloride
Database identifiers
- PubChem CID
- 22796356
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Related reactions
1 records
Compound notes
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