Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)OC(C)(C)C)cc1- InChIKey
JJXDFVXKRQDYGE-QFIPXVFZSA-N- Molecular formula
- C27H37N3O8S
- Average molar mass
- 563.7 g/mol
Names & identifiers
- Preferred name
- 4-[2-(N-BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-(benzenesulfonamido)-3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoyl]amino]propanoate
Names & synonyms
JJXDFVXKRQDYGE-QFIPXVFZSA-N4-[2-(N-BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine tert-butyl ester4 -[2 -(N -BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-betaalanine tert-butyl ester
Database identifiers
- PubChem CID
- 10840664
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 907
Related reactions
3 records
Compound notes
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