Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(NC(=O)Cc3csc(N)n3)c(Br)c2)CC[C@@H]1[C@H](O)c1ccccc1- InChIKey
OHWSWYCANYEKLI-QFZRFWILSA-N- Molecular formula
- C28H33BrN4O4S
- Average molar mass
- 601.6 g/mol
- Monoisotopic mass
- 600.14059
Names & identifiers
- Preferred name
- Tert-butyl (2R,5R)-2-(4-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-bromobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R,5R)-2-[[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-bromophenyl]methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1199664OHWSWYCANYEKLI-QFZRFWILSA-NTert-butyl (2R,5R)-2-(4-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-bromobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylateTert-butyl(2R, 5R)-2-(4-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-bromobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylateTert-butyl(2R,5R)-2-(4-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-bromobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 57907418
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 808
Related reactions
6 records
Compound notes
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