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Chemical structure of Spergualin trihydrochloride

GC61289

Spergualin trihydrochloride

Also known as (3S)-N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)-3-hydroxyheptanamide;trihydrochloride

Spergualin trihydrochloride is a natural occurring antibiotic initially identified from culture filtrates of Bacillus laterosporus BMG162-aF2

ChemicalCAS80952-47-2MW512.9FormulaC17H40Cl3N7O4
CAS number
80952-47-2
Molecular weight
512.9
Formula
C17H40Cl3N7O4
InChIKey
XWNJZPKETIWTTF-RIHGSVRJSA-N
Catalogue number
GC61289
Brand
GLPBIO
Computed properties PubChem CID 71587298 · TPSA 201 Ų · H-bond donors 11 · H-bond acceptors 7
TPSA
201 Ų
H-bond donors
11
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
31

SMILES C(CCN=C(N)N)C[C@@H](CC(=O)N[C@H](C(=O)NCCCCNCCCN)O)O.Cl.Cl.Cl

Computed descriptors from PubChem (CID 71587298), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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