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Chemical structure of Vernamycin BA

GC36968

Vernamycin BA

Also listed as Pristinamycin IA

Pristinamycin IA (Mikamycin B) is a cycle-peptidic macrolactone antibiotic

ChemicalCAS3131-03-1MW866.96FormulaC45H54N8O10
CAS number
3131-03-1
Molecular weight
866.96
Formula
C45H54N8O10
Solubility
DMSO： 33·33 mg/mL (38·44 mM)
InChIKey
YGXCETJZBDTKRY-UHFFFAOYSA-N
Catalogue number
GC36968
Brand
GLPBIO
Computed properties PubChem CID 14974 · XLogP 2.8 · TPSA 228 Ų · H-bond donors 4
XLogP
2.8
TPSA
228 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
63

SMILES CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C

Computed descriptors from PubChem (CID 14974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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