Melphalan flufenamide
ethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoate
Molecular Identity
Melphalan flufenamide
ethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoate
PubChem CID: 9935639
2D Structure
Properties
C24H30Cl2FN3O3
Molecular Formula
498.40
Molecular Weight
g/mol
497.1648
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
84.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Melphalan flufenamide380449-51-4Prodrug J-1Prodrug J 1J-1 (prodrug)J 1 (prodrug)PRODRUG J1J1 (PRODRUG)Melfalan flufenamidaF70C5K4786DTXSID40191461L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-l-phenylalanyl-4-fluoro-, ethyl esterEthyl (2S)-2-((2S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanamido)-3-(4-fluorophenyl)propanoateethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoateYgalo
Data from PubChem (NCBI)
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Trials and conditions connected to Melphalan flufenamide
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