Azd-3409
propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-methylsulfanylbutanoate
Molecular Identity
Azd-3409
propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-methylsulfanylbutanoate
PubChem CID: 11377266
2D Structure
Properties
C34H41FN4O4S2
Molecular Formula
652.80
Molecular Weight
g/mol
652.2553
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
160
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
938
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)NCC2CC(CN2)SC(=O)C3=CN=CC=C3)CCC4=CC=C(C=C4)FIsomeric SMILES
SMILES: CC(C)OC(=O)[C@H](CCSC)NC(=O)C1=C(C=CC(=C1)NC[C@@H]2C[C@@H](CN2)SC(=O)C3=CN=CC=C3)CCC4=CC=C(C=C4)FSynonyms(20)
345915-10-8AZD-3409epi-921AZD 3409F99W9H5WUEAZD3409N-[2-[2-(4-FLUOROPHENYL)ETHYL]-5-[[[(2S,4S)-4-[(3-PYRIDINYLCARBONYL)THIO]-2-PYRROLIDINYL]METHYL]AMINO]BENZOYL]-L-METHIONINE 1-METHYLETHYL ESTERIsopropyl (2S)-2-((2-(2-(4-fluorophenyl)ethyl)-5-(((2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl)methylamino)benzoyl)amino)-4-methylsulfanyl-butanoateL-Methionine, N-(2-(2-(4-fluorophenyl)ethyl)-5-((((2S,4S)-4-((3-pyridinylcarbonyl)thio)-2-pyrrolidinyl)methyl)amino)benzoyl)-, 1-methylethyl esterN-(2-(2-(4-Fluorophenyl)ethyl)-5-((((2S,4S)-4-((3-pyridinylcarbonyl)thio)-2-pyrrolidinyl)methyl)amino)benzoyl)-L-methionine 1-methylethyl esterRefChem:116039propan-2-yl (2S)-2-(1-(2-(2-fluoroethyl)-5-(((2S,5S)-5-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl)methylamino)phenyl)ethenylamino)-4-methylsulfanylbutanoateUNII-F99W9H5WUECHEMBL53670propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-methylsulfanylbutanoate
Data from PubChem (NCBI)
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