Cyclosporin E

cas: 63798-73-2 — see every product listed under this CAS number, including other names

Cyclosporin E (CAS 63798-73-2) is a chemical reagent available from Chemat. Available pack sizes: on request, Get quote. Offered by: Chemat Brand, MedChemExpress.

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cas63798-73-2
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Structural formula: {0} (CAS {1})

(3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CAS 63798-73-2) is a chemical compound with the molecular formula C61H109N11O12 and a molecular weight of 1188.6 g/mol. IUPAC name: (3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone. InChIKey: SYXYUKMELXLDBD-WKHWYDSQSA-N.

Identity
Molecular formulaC61H109N11O12
Molecular weight1188.6 g/mol
IUPAC name(3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
InChIKeySYXYUKMELXLDBD-WKHWYDSQSA-N
SMILESCC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)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 by PubChem (NCBI)

Synonyms: Cyclosporin E, Cyclosporin A, 5-L-valine-, Cyclosporin E, (-)-, orb2942942, SYXYUKMELXLDBD-WKHWYDSQSA-N, cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Ala-N(Me)Leu-N(Me)Leu-Val-N(Me)Bmt(E)]
Isomers (same molecular formula)
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
30-ethyl-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
(3S,6S,9R,12S,15S,18S,21S,27S,30S,33S)-27-ethyl-30-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,9,12,16,22,25-octamethyl-3,6,15,21-tetrakis(2-methylpropyl)-18,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone C61H109N11O12