Basic information
- CAS
30418-39-4- Standard SMILES
CC(C)N(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1ccccc1- InChIKey
DMYUVTOEEWGQMA-HOTGVXAUSA-N- Molecular formula
- C21H30N4O7S
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.18352048
Names & identifiers
- Preferred name
- (2S)-2-Amino-4-(((1S)-1-(carboxymethylcarbamoyl)-2-((phenyl-propan-2-yl-carbamoyl)methylsulfanyl)ethyl)carbamoyl)butanoic acid
- IUPAC
- (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
Propachlor-GSH30418-39-414C-Propachlor-GSH(2S)-2-Amino-4-(((1S)-1-(carboxymethylcarbamoyl)-2-((phenyl-propan-2-yl-carbamoyl)methylsulfanyl)ethyl)carbamoyl)butanoic acidDTXSID30184504L-gamma-Glutamyl-S-{2-oxo-2-[phenyl(propan-2-yl)amino]ethyl}-L-cysteinylglycine
Database identifiers
- CAS
30418-39-4- PubChem CID
- 181997
- DTXSID
DTXSID30184504- Nikkaji
- J371.900F
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…