(9H-fluoren-9-yl)methyl (S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate

HCID 86698529

Basic information

Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1csc2ccc(Cl)nc12)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
SDQAQSBOIBKUDN-WMELESEDSA-N
Molecular formula
C43H48ClN3O6S
Average molar mass
770.4 g/mol

Names & identifiers

Preferred name
(9H-fluoren-9-yl)methyl (S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate
IUPAC
9H-fluoren-9-ylmethyl N-[(2S)-1-[(5-chlorothieno[3,2-b]pyridin-3-yl)methyl-[(2S)-1,1-diethoxypropan-2-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate

Names & synonyms

SDQAQSBOIBKUDN-WMELESEDSA-N(9H-fluoren-9-yl)methyl (S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate(9H-fluoren-9-yl)methyl(S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate

Database identifiers

PubChem CID
86698529

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
17
Heavy atoms
54

Related reactions

8 records

Compound notes

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