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Iso Cyclosporin A, TRC

Product Code. 18090230
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Product Code. 18090230 Supplier Toronto Research Chemicals Supplier No. TRCI8115005MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Chemical Identifiers

CAS 59865-16-6
InChI Formula InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52-50(63-18)56(78)66-43(26-2)58(80)68(19)33-48(74)69(20)44(29-34(3)4)55(77)67-49(38(11)12)61(83)70(21)45(30-35(5)6)54(76)64-41(16)53(75)65-42(17)57(79)71(22)46(31-36(7)8)59(81)72(23)47(32-37(9)10)60(82)73(24)51(39(13)14)62(84)85-52/h25,27,34-47,49-52,63H,26,28-33H2,1-24H3,(H,64,76)(H,65,75)(H,66,78)(H,67,77)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(E,2R)-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
Molecular Formula C62 H111 N11 O12
Molecular Weight (g/mol) 1202.61
Chemical Name or Material Isocyclosporin A

Specifications

Quantity 5 mg
Synonym Isociclosporin A, (2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone, Isocyclosporin A, 1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv., [2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone
SMILES CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C
Formula Weight 1201.8414
Percent Purity >95%
Grade HPLC
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