Timcodar
(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide
Molecular Identity
Timcodar
(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide
PubChem CID: 9811664
2D Structure
Properties
C43H45ClN4O6
Molecular Formula
749.30
Molecular Weight
g/mol
748.3028
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
111
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CN(C(CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OCIsomeric SMILES
SMILES: CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OCSynonyms(20)
Timcodar179033-51-3vx-853VX853VX 853U141W322WZ(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide(S)-N-Benzyl-p-chloro-alpha-(N-methyl-2-(3,4,5-trimethoxyphenyl)glyoxylamido)-N-(3-(4-pyridyl)-1-(2-(4-pyridyl)ethyl)propyl)hydrocinnamamidetimcodarum(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-(methyl-(2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl)amino)propanamideVX853 cpdRefChem:190027(2S)-N-benzyl-N-(1,5-bis(pyridin-4-yl)pentan-3-yl)-3-(4-chlorophenyl)-2-(N-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetamido)propanamideTimcodar [INN]UNII-U141W322WZ
Data from PubChem (NCBI)
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