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Chemical structure of Descarbamylnovobiocin

GC46129

Descarbamylnovobiocin

Also known as N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide

A derivative of novobiocin

ChemicalCAS75057-97-5MW569.6FormulaC30H35NO10
CAS number
75057-97-5
Molecular weight
569.6
Formula
C30H35NO10
Solubility
Soluble in DMSO
InChIKey
UZHGFJZFJRMSOS-NANZAVOOSA-N
Catalogue number
GC46129
Brand
GLPBIO
Computed properties PubChem CID 54691350 · XLogP 3.3 · TPSA 164 Ų · H-bond donors 5
XLogP
3.3
TPSA
164 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
41

SMILES CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)O)O

Computed descriptors from PubChem (CID 54691350), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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