Chem
J-GLOBAL ID:200907006392864138   Nikkaji number:J953.836D

(4R,14R)-4,14-Bis(hydroxymethyl)-9-dodecyl-3,9,15,21-tetraaza-6,12-dithiabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione

(4R,14R)-4,14-ビス(ヒドロキシメチル)-9-ドデシル-3,9,15,21-テトラアザ-6,12-ジチアビシクロ[15.3.1]ヘニコサ-1(21),17,19-トリエン-2,16-ジオン
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: C29H50N4O4S2
Molecular formula furigana: C29-H50-N4-O4-S2
Molecular weight: 582.860
InChI: InChI=1S/C29H50N4O4S2/c1-2-3-4-5-6-7-8-9-10-11-15-33-16-18-38-22-24(20-34)30-28(36)26-13-12-14-27(32-26)29(37)31-25(21-35)23-39-19-17-33/h12-14,24-25,34-35H,2-11,15-23H2,1H3,(H,30,36)(H,31,37)/t24-,25-/m1/s1
InChI key: UHZOIBSYLMIODR-JWQCQUIFSA-N
SMILES: CCCCCCCCCCCCN1CCSC[C@@H](CO)NC(=O)c2cccc(n2)C(=O)N[C@H](CO)CSCC1
Systematic name  (3):
  • (4R,14R)-4,14-ビス(ヒドロキシメチル)-9-ドデシル-3,9,15,21-テトラアザ-6,12-ジチアビシクロ[15.3.1]ヘニコサ-1(21),17,19-トリエン-2,16-ジオン
  • (4R,14R)-9-ドデシル-4,14-ビス(ヒドロキシメチル)-6,12-ジチア-3,9,15,21-テトラアザビシクロ[15.3.1]ヘンイコサ-1(21),17,19-トリエン-2,16-ジオン
  • (4R,14R)-9-dodecyl-4,14-bis(hydroxymethyl)-6,12-dithia-3,9,15,21-tetraazabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Other name (1):
  • (4R,14R)-4,14-Bis(hydroxymethyl)-9-dodecyl-3,9,15,21-tetraaza-6,12-dithiabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
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