| CAS Number | 63775-95-1 |
| Catalog Number | AG00E8XF(AGN-PC-09SIJJ) |
| Chemical Name | Cyclosporin B |
| IUPAC Name | (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 |
| InChI | InChI=1S/C61H109N11O12/c1-25-26-27-39(14)51(74)50-55(78)64-41(16)56(79)66(18)32-47(73)67(19)43(28-33(2)3)54(77)65-48(37(10)11)60(83)68(20)44(29-34(4)5)53(76)62-40(15)52(75)63-42(17)57(80)69(21)45(30-35(6)7)58(81)70(22)46(31-36(8)9)59(82)71(23)49(38(12)13)61(84)72(50)24/h25-26,33-46,48-51,74H,27-32H2,1-24H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b26-25+/t39-,40+,41+,42-,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1 |
| InChI Key | UCOQITKXMNKTKF-MXGZYYNMSA-N |
| MDL Number | MFCD08062361 |
| Molecular Formula | C61H109N11O12 |
| Molecular Weight | 1188.5847 |
| SMILES | O=C([C@H](C(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@@H](C)NC([C@H](C)NC([C@H](CC(C)C)N(C)C([C@H](C(C)C)NC([C@H](CC(C)C)N(C)C(CN(C)C([C@H](C)N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C1=O |
| UNII | 8PZQ1RZS5A |
| Synonyms | Cyclosporin B,
63775-95-1,
UNII-8PZQ1RZS5A,
8PZQ1RZS5A,
CyclosporinB,
Cyclosporin A, 7-L-alanine-,
SCHEMBL16596082,
EX-A2528,
V1789,
775C951,
C-23621,
SR-01000872583,
SR-01000872583-1,
5,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone,
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28,30-decamethyl-1,4,7,10,13,16,19,22,2,
C61H109N11O12,
C61-H109-N11-O12,
|