Basic information
- Standard SMILES
NC(=O)CC[C@H](NC(=O)COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O- InChIKey
NZBXPKINWFRJRL-ZFIVZLJKSA-N- Molecular formula
- C39H38F2N4O8S
- Average molar mass
- 760.8 g/mol
- Monoisotopic mass
- 760.23784168
Names & identifiers
- Preferred name
- N2-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2 (4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-L-glutaminyl-D-phenylalanine
- IUPAC
- (2R)-2-[[(2S)-5-amino-2-[[2-[4-[(2R,3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanyl-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
Names & synonyms
NZBXPKINWFRJRL-ZFIVZLJKSA-NN2-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2 (4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-L-glutaminyl-D-phenylalanineN2-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-L-glutaminyl-D-phenylalanine
Database identifiers
- PubChem CID
- 86619082
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
1 records
Compound notes
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