Chem
J-GLOBAL ID：200907072674457864   Nikkaji number：J378.164J

B-3-243

B-3-243
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C64H113N11O13
Molecular formula furigana： C64-H113-N11-O13
Molecular weight： 1244.672
InChI： InChI=1S/C64H113N11O13/c1-26-28-29-41(15)54(88-44(18)76)53-58(81)67-45(27-2)60(83)69(19)34-50(77)70(20)46(30-35(3)4)57(80)68-51(39(11)12)63(86)71(21)47(31-36(5)6)56(79)65-42(16)55(78)66-43(17)59(82)72(22)48(32-37(7)8)61(84)73(23)49(33-38(9)10)62(85)74(24)52(40(13)14)64(87)75(53)25/h26,28,35-43,45-49,51-54H,27,29-34H2,1-25H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b28-26+/t41-,42+,43-,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
InChI key： KUSICUWKCBCAHV-ZSINMPTNSA-N
SMILES： CC[C@@H]1NC(=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@@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
Systematic name  (6)：
  • (3R,4R)-3-アセトキシ-N-メチル-5-[(E)-1-プロペニル]-シクロ(L-Leu-L-Abu-Sar-N-メチル-L-Leu-L-Val-N-メチル-L-Leu-L-Ala-D-Ala-N-メチル-L-Leu-N-メチル-L-Leu-N-メチル-L-Val-)
  • (3R,4R)-3-アセトキシ-N-メチル-5-[(E)-1-プロペニル]シクロ(L-Leu-L-Abu-Sar-N-メチル-L-Leu-L-Val-N-メチル-L-Leu-L-Ala-D-Ala-N-メチル-L-Leu-N-メチル-L-Leu-N-メチル-L-Val-)
  • (3R,4R)-N-メチル-3-アセトキシ-5-[(E)-1-プロペニル]-シクロ(L-Leu-L-Abu-Sar-N-メチル-L-Leu-L-Val-N-メチル-L-Leu-L-Ala-D-Ala-N-メチル-L-Leu-N-メチル-L-Leu-N-メチル-L-Val-)
  • (2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-8,11,26,32-テトライソブチル-20-エチル-14,29-ジイソプロピル-2,5,7,10,13,16,22,25,31-ノナメチル-17-[(1R,2R,4E)-1-アセトキシ-2-メチル-4-ヘキセニル]-1,4,7,10,13,16,19,22,25,28,31-ウンデカアザシクロトリトリアコンタン-3,6,9,12,15,18,21,24,27,30,33-ウンデカオン
  • (1R,2R,4E)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-エチル-1,7,10,16,20,23,25,28,31-ノナメチル-11,17,26,29-テトラキス(2-メチルプロピル)-3,6,9,12,15,18,21,24,27,30,33-ウンデカオキソ-14,32-ビス(プロパン-2-イル)-1,4,7,10,13,16,19,22,25,28,31-ウンデカアザシクロトリトリアコンタン-2-イル]-2-メチルヘキサ-4-エン-1-イル アセタート
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Other name (8)：
  • シクロスポリンAアセタート
  • Cyclosporine A acetate
  • (3R,4R)-3-Acetoxy-N-methyl-5-[(E)-1-propenyl]cyclo(L-Leu-L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-)
  • B-3-243
  • SDZ-33-243
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CAS registry number： 83602-41-9
Application (1)：
immunosuppressant
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