Chem
J-GLOBAL ID：200907020833566319   Nikkaji number：J1.011.672D

(4S,11R,18S)-4,11,18,21-Tetramethyl-8,5:15,12-dinitrilo-3,10,17,22-tetraaza-6,13-dithia-20-oxabicyclo[17.2.1]docosa-1(21),7,14,19(22)-tetrene-2,9,16-trione

(4S,11R,18S)-4,11,18,21-テトラメチル-8,5:15,12-ジニトリロ-3,10,17,22-テトラアザ-6,13-ジチア-20-オキサビシクロ[17.2.1]ドコサ-1(21),7,14,19(22)-テトラエン-2,9,16-トリオン
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： C19H20N6O4S2
Molecular formula furigana： C19-H20-N6-O4-S2
Molecular weight： 460.530
InChI： InChI=1S/C19H20N6O4S2/c1-7-17-25-13(10(4)29-17)16(28)22-9(3)19-24-12(6-31-19)15(27)21-8(2)18-23-11(5-30-18)14(26)20-7/h5-9H,1-4H3,(H,20,26)(H,21,27)(H,22,28)/t7-,8+,9-/m0/s1
InChI key： VSHFFGIAFGCZHA-YIZRAAEISA-N
SMILES： C[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2csc(n2)[C@H](C)NC(=O)c2nc1oc2C
Systematic name  (3)：
  • (4S,11R,18S)-4,11,18,21-テトラメチル-8,5:15,12-ジニトリロ-3,10,17,22-テトラアザ-6,13-ジチア-20-オキサビシクロ[17.2.1]ドコサ-1(21),7,14,19(22)-テトラエン-2,9,16-トリオン
  • (4S,11S,18R)-4,7,11,18-テトラメチル-6-オキサ-13,20-ジチア-3,10,17,22,23,24-ヘキサアザテトラシクロ[17.2.1.15,8.112,15]テトラコサ-1(21),5(24),7,12(23),14,19(22)-ヘキサエン-2,9,16-トリオン
  • (4S,11S,18R)-4,7,11,18-tetramethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Other name (1)：
  • (4S,11R,18S)-4,11,18,21-Tetramethyl-8,5:15,12-dinitrilo-3,10,17,22-tetraaza-6,13-dithia-20-oxabicyclo[17.2.1]docosa-1(21),7,14,19(22)-tetrene-2,9,16-trione
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