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Chemical structure of 1-Alaninechlamydocin

GC41984

1-Alaninechlamydocin

Also known as (3S,6S,9S,12R)-3-benzyl-6-methyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

1-Alaninechalmydocin is a fungal metabolite originally isolated from a Great Lakes-derived Tolypocladium sp

ChemicalCAS141446-96-0MW512.6FormulaC27H36N4O6
CAS number
141446-96-0
Molecular weight
512.6
Formula
C27H36N4O6
Solubility
Soluble in DMSO
InChIKey
QMNUPNOLDLHVTB-IWDBHXEASA-N
Catalogue number
GC41984
Brand
GLPBIO
Computed properties PubChem CID 118708140 · XLogP 1.5 · TPSA 137 Ų · H-bond donors 3
XLogP
1.5
TPSA
137 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37

SMILES C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@@H]3CO3)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 118708140), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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