Nom de l'analyte

9-(N-methyl-L-valine)-Cyclosporin A

Numéro CAS

156047-28-8

Formule moléculaire

C61H109N11O12

Poids moléculaire

1188.58

Masse précise

1187.83

SMILES

C/C=C/C[C@@H](C)[C@H]([C@]1([H])N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)C(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C)O

InChI

InChI=1S/C61H109N11O12/c1-25-27-28-39(15)51(74)50-55(78)64-42(26-2)57(80)66(18)32-46(73)70(22)48(37(11)12)54(77)65-47(36(9)10)60(83)67(19)43(29-33(3)4)53(76)62-40(16)52(75)63-41(17)56(79)68(20)44(30-34(5)6)58(81)69(21)45(31-35(7)8)59(82)71(23)49(38(13)14)61(84)72(50)24/h25,27,33-45,47-51,74H,26,28-32H2,1-24H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,47+,48+,49+,50+,51-/m1/s1

IUPAC

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

Température d'expédition

Room Temperature

Pays d'origine

CANADA

Type de produit

Bioactive Small Molecule

Présentation du produit

Neat