Molecular Identity
Deoxyspergualin
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
PubChem CID: 91272
2D Structure
Properties
C17H37N7O3
Molecular Formula
387.50
Molecular Weight
g/mol
387.2958
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
181
TPSA
May have limited oral absorption
7
H-Bond Donors
6
H-Bond Acceptors
429
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Deoxyspergualin(-)-Gusperimus(-)-15-Deoxyspergualin89149-10-057F9XM233RHeptanamide, 7-((aminoiminomethyl)amino)-N-((1S)-2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-DTXSID70237548Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, (S)-RefChem:905557DTXCID20160039N-((S)-((4-((3-aminopropyl)amino)butyl)carbamoyl)(hydroxy)methyl)-7-carbamimidamidoheptanamideUNII-57F9XM233RN-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide(S)-15-Deoxyspergualin15-Desoxyspergualin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deoxyspergualin
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