Basic information
- CAS
548485-18-3- Standard SMILES
CC(C)[C@H](NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)NCC(=O)O- InChIKey
JLXGKTCIAOPFJX-NDEPHWFRSA-N- Molecular formula
- C30H33N3O5S
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.21409234
Names & identifiers
- Preferred name
- N-{[(Triphenylmethyl)sulfanyl]acetyl}-L-valylglycylglycine
- IUPAC
- 2-[[2-[[(2S)-3-methyl-2-[(2-tritylsulfanylacetyl)amino]butanoyl]amino]acetyl]amino]acetic acid
Names & synonyms
548485-18-3N-{[(Triphenylmethyl)sulfanyl]acetyl}-L-valylglycylglycineDTXSID00787925
Database identifiers
- CAS
548485-18-3- PubChem CID
- 71364458
- DTXSID
DTXSID00787925
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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