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Chemical structure of N,N'-bis(2,3-Dihydroxybenzoyl)-O-L-seryl-L-serine

GC47720

N,N'-bis(2,3-Dihydroxybenzoyl)-O-L-seryl-L-serine

Also known as (2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl]oxypropanoic acid

A microbial metabolite with anticancer activity

ChemicalCAS30414-15-4MW464.4FormulaC20H20N2O11
CAS number
30414-15-4
Molecular weight
464.4
Formula
C20H20N2O11
InChIKey
KLXJDVFEFZPIMN-RYUDHWBXSA-N
Catalogue number
GC47720
Brand
GLPBIO
Computed properties PubChem CID 22816160 · XLogP 0.8 · TPSA 223 Ų · H-bond donors 8
XLogP
0.8
TPSA
223 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
33

SMILES C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)C2=C(C(=CC=C2)O)O

Computed descriptors from PubChem (CID 22816160), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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