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Chemical structure of FBnG

GC76926

FBnG

Also known as (2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid

FBnG is a component of non-ribosomal peptide synthetase/polyketide synthase (NRPS/PKS), which is associated with the biosynthesis of fabrubactin (FBN)

ChemicalCAS2241669-86-1MW420.42FormulaC17H17FN6O4S
CAS number
2241669-86-1
Molecular weight
420.42
Formula
C17H17FN6O4S
Solubility
DMSO： 100 mg/mL (237·86 mM; Need ultrasonic)
InChIKey
DWTZTMSSTASBNX-NSHDSACASA-N
Catalogue number
GC76926
Brand
GLPBIO
Computed properties PubChem CID 142409041 · XLogP 0.4 · TPSA 177 Ų · H-bond donors 4
XLogP
0.4
TPSA
177 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
29

SMILES CC(=O)N[C@@H](CSC1=NC2=C(N1CC3=CC=C(C=C3)F)N=C(NC2=O)N)C(=O)O

Computed descriptors from PubChem (CID 142409041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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