Chem
J-GLOBAL ID：200907096798594718   Nikkaji number：J221.814C

Ulithiacyclamide A

ウリチアシクラミドA
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： C32H42N8O6S4
Molecular formula furigana： C32-H42-N8-O6-S4
Molecular weight： 762.980
InChI： InChI=1S/C32H42N8O6S4/c1-13(2)7-17-31-37-19(9-47-31)25(41)35-22-12-50-49-11-21(29-39-23(15(5)45-29)27(43)33-17)36-26(42)20-10-48-32(38-20)18(8-14(3)4)34-28(44)24-16(6)46-30(22)40-24/h9-10,13-18,21-24H,7-8,11-12H2,1-6H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)/t15-,16-,17-,18-,21+,22+,23+,24+/m1/s1
InChI key： FSUFGKVPTHSJKC-GMUIRADFSA-N
SMILES： CC(C)C[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CSSC[C@H](NC(=O)c3csc1n3)C1=N[C@@H]([C@@H](C)O1)C(=O)N[C@H](CC(C)C)c1nc(cs1)C(=O)N2
Systematic name  (5)：
  • ウリチアシクラミド
  • (+)-ウリチアシクラミド
  • [1R,4R,5S,8R,15R,18R,19S,22R,(+)]-4,18-ジメチル-8,22-ビス(2-メチルプロピル)-3,17-ジオキサ-10,24,30,31-テトラチア-7,14,21,28,33,34,35,36-オクタアザヘキサシクロ[13.13.4.12,5.19,12.116,19.123,26]ヘキサトリアコンタ-2(36),9(35),11,16(34),23(33),25-ヘキサエン-6,13,20,27-テトラオン
  • (1R,4R,5S,8R,15R,18R,19S,22R)-4,18-ジメチル-8,22-ビス(2-メチルプロピル)-3,17-ジオキサ-10,24,30,31-テトラチア-7,14,21,28,33,34,35,36-オクタアザヘキサシクロ[13.13.4.12,5.19,12.116,19.123,26]ヘキサトリアコンタ-2(36),9(35),11,16(34),23(33),25-ヘキサエン-6,13,20,27-テトラオン
  • (1R,4R,5S,8R,15R,18R,19S,22R)-4,18-dimethyl-8,22-bis(2-methylpropyl)-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35),11,16(34),23(33),25-hexaene-6,13,20,27-tetrone
Other name (6)：
  • [1R,4R,5S,8R,15R,18R,19S,22R,(+)]-4,18-Dimethyl-8,22-bis(2-methylpropyl)-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35),11,16(34),23(33),25-hexene-6,13,20,27-tetrone
  • (+)-Ulithiacyclamide
  • Ulithiacyclamide
  • (1R,4R,5S,8R,15R,18R,19S,22R)-4,18-Dimethyl-8,22-bis(2-methylpropyl)-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35),11,16(34),23(33),25-hexene-6,13,20,27-tetrone
  • ウリチアシクラミドA
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CAS registry number： 74847-09-9
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