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Chemical structure of N,N'-bis-Cbz-β-Alethine

GC44272

N,N'-bis-Cbz-β-Alethine

Also known as benzyl N-[3-oxo-3-[2-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyldisulfanyl]ethylamino]propyl]carbamate

N,N'-bis-Cbz-β-Alethine is an active ester used in the synthesis of β-alethine, which induces cell differentiation and has potential anti-tumor applications

ChemicalCAS104071-84-3MW562.7FormulaC26H34N4O6S2
CAS number
104071-84-3
Molecular weight
562.7
Formula
C26H34N4O6S2
Solubility
DMF： 1 mg/ml,DMSO： 2 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
QNRYOCUKPBROPJ-UHFFFAOYSA-N
Catalogue number
GC44272
Brand
GLPBIO
Computed properties PubChem CID 9985328 · XLogP 1.8 · TPSA 185 Ų · H-bond donors 4
XLogP
1.8
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
19
Heavy atoms
38

SMILES C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)OCC2=CC=CC=C2

Computed descriptors from PubChem (CID 9985328), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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