Basic information
- CAS
41863-58-5- Standard SMILES
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C- InChIKey
AIHJFGQZJBMYEB-UHFFFAOYSA-N- Molecular formula
- C22H31N3O5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.2263711
Names & identifiers
- Preferred name
- Methyl n-(tert-butoxycarbonyl)valyltryptophanate
- IUPAC
- methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
Names & synonyms
41863-58-5methyl n-(tert-butoxycarbonyl)valyltryptophanateNSC106697SCHEMBL11221428DTXSID20295996NSC-106697
Database identifiers
- CAS
41863-58-5- PubChem CID
- 267448
- DTXSID
DTXSID20295996
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…