Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1- InChIKey
SRSRJQKOIZMQKM-IEZWGBDMSA-N- Molecular formula
- C25H34N4O5S
- Average molar mass
- 502.6 g/mol
Names & identifiers
- Preferred name
- 2-[(Benzothiazol-2-yl)carbonyl]-1-{N-[N-(tertbutyloxycarbonyl)-(L)-Alanyl]-(L)-Valinyl}-(2S)-pyrrolidine
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL4412440SRSRJQKOIZMQKM-IEZWGBDMSA-N2-[(Benzothiazol-2-yl)carbonyl]-1-{N-[N-(tertbutyloxycarbonyl)-(L)-Alanyl]-(L)-Valinyl}-(2S)-pyrrolidine
Database identifiers
- PubChem CID
- 69033468
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 814
Related reactions
1 records
Compound notes
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