Basic information
- Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1cccc2cccnc12)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
RBXWFXVSXLCJHR-JKFCTSDTSA-N- Molecular formula
- C40H47N3O7
- Average molar mass
- 681.8 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-4-oxobutanoate
- IUPAC
- tert-butyl (3S)-4-[[(2S)-1,1-diethoxypropan-2-yl]-(quinolin-8-ylmethyl)amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
Names & synonyms
SCHEMBL1591355RBXWFXVSXLCJHR-JKFCTSDTSA-N(S)-tert-Butyl 3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-4-oxobutanoate
Database identifiers
- PubChem CID
- 67088264
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
4 records
Compound notes
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