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Chemical structure of Lyciumin B

GC72077

Lyciumin B

Also known as 11-(hydroxymethyl)-2-[[3-(1H-indol-3-yl)-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3,6,9,12-tetraoxo-5-propan-2-yl-1,4,7,10,13-pentazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid

Lyciumin B is a cyclic peptide isolated from Lysium chinense

ChemicalCAS125756-66-3MW896.94FormulaC44H52N10O11
CAS number
125756-66-3
Molecular weight
896.94
Formula
C44H52N10O11
InChIKey
BWRVBFMWWHWLBW-UHFFFAOYSA-N
Catalogue number
GC72077
Brand
GLPBIO
Computed properties PubChem CID 14430292 · XLogP 0.8 · TPSA 302 Ų · H-bond donors 10
XLogP
0.8
TPSA
302 Ų
H-bond donors
10
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
65

SMILES CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C6CCC(=O)N6)C7=CC=CC=C27)C(=O)O)CO

Computed descriptors from PubChem (CID 14430292), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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