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Chemical structure of Geninthiocin A

GC43744

Geninthiocin A

Also known as (17E)-N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-17-ethylidene-14-(1-hydroxyethyl)-27-(2-hydroxypropan-2-yl)-33-methyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2(7),3,5,8(47),10,18(46),20,31(45),33,41(44)-undecaene-4-carboxamide

Geninthiocin A is a cyclic thiopeptide bacterial metabolite originally isolated from Streptomyces sp

ChemicalCAS158792-27-9MW1132.1FormulaC50H49N15O15S
CAS number
158792-27-9
Molecular weight
1132.1
Formula
C50H49N15O15S
Solubility
DMF： soluble,DMSO： soluble,Ethanol： slightly soluble
InChIKey
JNUIXQXFKIJDIV-KKMKTNMSSA-N
Catalogue number
GC43744
Brand
GLPBIO
Computed properties PubChem CID 16129809 · XLogP 1.2 · TPSA 478 Ų · H-bond donors 12
XLogP
1.2
TPSA
478 Ų
H-bond donors
12
H-bond acceptors
21
Rotatable bonds
7
Heavy atoms
81

SMILES C/C=C/1\C2=NC(=CO2)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O

Computed descriptors from PubChem (CID 16129809), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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