Chem
J-GLOBAL ID：200907079228175051   Nikkaji number：J489.948B

SDZ PSC-833

SDZ PSC-833
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： C63H111N11O12
Molecular formula furigana： C63-H111-N11-O12
Molecular weight： 1214.646
InChI： InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
InChI key： YJDYDFNKCBANTM-FEWHSRPISA-N
SMILES： C/C=C/C[C@@H](C)C(=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(C)C)C(C)C
Systematic name  (3)：
  • (4R)-N-メチル-3-オキソ-5-[(E)-1-プロペニル]シクロ(L-Leu-L-Val-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,33R)-1,4,7,10,12,15,19,25,28-ノナメチル-33-[(2R,4E)-2-メチルヘキサ-4-エノイル]-6,9,18,24-テトラキス(2-メチルプロピル)-3,21,30-トリス(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,33R)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(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 (11)：
  • PSC-833
  • (4R)-N-Methyl-3-oxo-5-[(E)-1-propenyl]cyclo(L-Leu-L-Val-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-)
  • SDZ PSC-833
  • SDZ-PSC-833
  • バルスポダル
Show all
CAS registry number： 121584-18-7
KEGG COMPOUND： C11213
Application (3)：
enzyme inhibitor ,  immunosuppressant ,  antitumor drug
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