Des(N-Methyl-leucyl), N-tertButyloxycarbonyl-leucyl Cyclosporin A seco(MeGly-MeLeu) Methyl Ester
Product Code
TRC-B656780
Product Format
Neat
Molecular Formula
C69 H123 N11 O16
Molecular Weight
1362.779
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Des(N-Methyl-leucyl), N-tertButyloxycarbonyl-leucyl Cyclosporin A seco(MeGly-MeLeu) Methyl Ester
Molecular Formula
C69 H123 N11 O16
Molecular Weight
1362.779
Accurate Mass
1361.915
SMILES
CC[C@H](NC(=O)[C@H]([C@H](OC(=O)C)[C@H](C)C\C=C\C)N(C)C(=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(C)NC(=O)C(C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N(C)CC(=O)OC
InChI
InChI=1S/C69H123N11O16/c1-29-31-32-44(15)57(95-47(18)81)56(61(86)72-48(30-2)63(88)75(22)37-53(82)94-28)80(27)67(92)55(43(13)14)79(26)65(90)52(36-41(9)10)78(25)64(89)51(35-40(7)8)77(24)62(87)46(17)71-58(83)45(16)70-60(85)50(34-39(5)6)76(23)66(91)54(42(11)12)74-59(84)49(33-38(3)4)73-68(93)96-69(19,20)21/h29,31,38-46,48-52,54-57H,30,32-37H2,1-28H3,(H,70,85)(H,71,83)(H,72,86)(H,73,93)(H,74,84)/b31-29+/t44-,45?,46?,48+,49+,50-,51-,52+,54-,55-,56+,57-/m1/s1
IUPAC
methyl 2-[[(2S)-2-[[(E,2S,3R,4R)-3-acetyloxy-4-methyl-2-[methyl-[(2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2R)-4-methyl-2-[methyl-[2-[2-[[(2R)-4-methyl-2-[methyl-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]oct-6-enoyl]amino]butanoyl]-methylamino]acetate
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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