Chem
J-GLOBAL ID：200907027629630967   Nikkaji number：J34.320J

Cyclosporin C

シクロスポリンC
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： C62H111N11O13
Molecular formula furigana： C62-H111-N11-O13
Molecular weight： 1218.634
InChI： InChI=1S/C62H111N11O13/c1-25-26-27-39(14)52(76)51-56(80)66-49(42(17)74)60(84)67(18)32-47(75)68(19)43(28-33(2)3)55(79)65-48(37(10)11)61(85)69(20)44(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)50(38(12)13)62(86)73(51)24/h25-26,33-46,48-52,74,76H,27-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,79)(H,66,80)/b26-25+/t39-,40+,41-,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1
InChI key： JTOKYIBTLUQVQV-QRVTZXGZSA-N
SMILES： C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1N(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)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C
Systematic name  (3)：
  • (3R,4R)-3-ヒドロキシ-N-メチル-5-[(E)-1-プロペニル]-シクロ(L-Leu-L-Thr-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-)
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(1R,2R,4E)-1-ヒドロキシ-2-メチルヘキサ-4-エン-1-イル]-30-[(1R)-1-ヒドロキシエチル]-1,4,7,10,12,15,19,25,28-ノナメチル-6,9,18,24-テトラキス(2-メチルプロピル)-3,21-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-2,5,8,11,14,17,20,23,26,29,32-ウンデカオン
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-30-[(1R)-1-hydroxyethyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
Other name (4)：
  • シクロスポリンC
  • Cyclosporin C
  • (3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]-cyclo(L-Leu-L-Thr-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-)
  • WF-3484
CAS registry number： 59787-61-0
Application (2)：
antifungal drug ,  immunosuppressant
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