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Chemical structure of Isocyclosporin A

GC40752

Isocyclosporin A

Also known as 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Isocyclosporin A is an isomer of cyclosporin A that forms upon acid hydrolysis or upon ionization during mass spectrometry (MS)

ChemicalCAS59865-16-6MW1202.6FormulaC62H111N11O12
CAS number
59865-16-6
Molecular weight
1202.6
Formula
C62H111N11O12
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
QEKLELUAISGHEL-RFBIWTDZSA-N
Catalogue number
GC40752
Brand
GLPBIO
Computed properties PubChem CID 6449901 · XLogP 7.6 · TPSA 277 Ų · H-bond donors 5
XLogP
7.6
TPSA
277 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
15
Heavy atoms
85

SMILES CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)OC(C(C(=O)N1)NC)C(C)C/C=C\C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Computed descriptors from PubChem (CID 6449901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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