Analyte Name

Des(N-Methyl-leucyl) Cyclosporin A seco(MeGly-MeLeu) Methyl Ester

CAS Number

156047-45-9

Molecular Formula

C58H104N10O13

Molecular Weight

1149.51

Accurate Mass

1148.7784

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](N)C(C)C)C(=O)N(C)CC(=O)OC

InChI

InChI=1S/C58H104N10O13/c1-24-26-27-37(13)49(81-40(16)69)48(52(73)62-41(25-2)54(75)63(17)31-45(70)80-23)68(22)58(79)47(36(11)12)67(21)56(77)44(30-34(7)8)66(20)55(76)43(29-33(5)6)65(19)53(74)39(15)61-50(71)38(14)60-51(72)42(28-32(3)4)64(18)57(78)46(59)35(9)10/h24,26,32-39,41-44,46-49H,25,27-31,59H2,1-23H3,(H,60,72)(H,61,71)(H,62,73)/b26-24+/t37-,38?,39?,41+,42+,43-,44+,46+,47-,48+,49-/m1/s1

IUPAC

methyl 2-[[(2S)-2-[[(E,2S,3R,4R)-3-acetyloxy-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[2-[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoylamino]propanoyl-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-4-methyloct-6-enoyl]amino]butanoyl]-methylamino]acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat