(S)-tert-Butyl 3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-4-oxobutanoate

HCID 67088264

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

Related reactions

4 records

Compound notes

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