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Chemical structure of Boc-Thionoser(Bzl)-1-(6-nitro)benzotriazolide

GA21139

Boc-Thionoser(Bzl)-1-(6-nitro)benzotriazolide

Also known as tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenylmethoxy-1-sulfanylidenepropan-2-yl]carbamate

Building block for the synthesis of thionopeptides and peptides containing thiazolidine rings

ChemicalCAS184951-89-1MW457.51FormulaC21H23N5O5S
CAS number
184951-89-1
Molecular weight
457.51
Formula
C21H23N5O5S
Solubility
Soluble in DMSO
InChIKey
ONLHTXYLWKDWEB-KRWDZBQOSA-N
Catalogue number
GA21139
Brand
GLPBIO
Computed properties PubChem CID 11798090 · XLogP 3.5 · TPSA 156 Ų · H-bond donors 1
XLogP
3.5
TPSA
156 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32

SMILES CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Computed descriptors from PubChem (CID 11798090), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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