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Chemical structure of Arylomycin A2

GC72211

Arylomycin A2

Also known as (8S,11S,14S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methylundecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

Arylomycin A2, an antibiotic (Antibiotic), is a lipopeptide type I signal peptidase (SPase I) inhibitor

ChemicalCAS459844-20-3MW824.96FormulaC42H60N6O11
CAS number
459844-20-3
Molecular weight
824.96
Formula
C42H60N6O11
InChIKey
YFSXYWAZCKMYJN-JBBOGOJTSA-N
Catalogue number
GC72211
Brand
GLPBIO
Computed properties PubChem CID 9988024 · XLogP 3.9 · TPSA 255 Ų · H-bond donors 8
XLogP
3.9
TPSA
255 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
18
Heavy atoms
59

SMILES C[C@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)[C@@H](C(=O)N1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)N(C)C(=O)CCCCCCCCC(C)C)O)C(=O)O

Computed descriptors from PubChem (CID 9988024), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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