JNJ-27548547
[4-[2,3-di(octadecanoyloxy)propyldisulfanyl]phenyl]methyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
Molecular Identity
JNJ-27548547
[4-[2,3-di(octadecanoyloxy)propyldisulfanyl]phenyl]methyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
PubChem CID: 9941638
2D Structure
Properties
C62H98N4O11S2
Molecular Formula
1139.60
Molecular Weight
g/mol
1138.6674
Exact Mass
Da
18.6
XLogP
Above Lipinski threshold
257
TPSA
May have limited oral absorption
2
H-Bond Donors
15
H-Bond Acceptors
1960
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
JNJ-27548547Mmc lipid-based prodrug (mlp)UNII-3I8JKL1CHBMitomycin C lipid-based prodrug (mlp)Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1a,4,7,8,8a,8b-hexahydro-8a-methoxy-5-methyl-4,7-dioxo-, (4-((2,3-bis((1-oxooctadecyl)oxy)propyl)dithio)phenyl)methyl ester, (1aS,8S,8aR,8bS)-(4-(2,3-di(octadecanoyloxy)propyldisulfanyl)phenyl)methyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo(7.4.0.02,7.04,6)trideca-1(9),11-diene-5-carboxylate[4-[2,3-di(octadecanoyloxy)propyldisulfanyl]phenyl]methyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylatePL-MLPRefChem:150534Pegylated Liposomal Mitomycin C Lipid-based ProdrugPromitil3I8JKL1CHB303983-00-8CHEMBL4297496SCHEMBL29409461
Data from PubChem (NCBI)
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