Chem
J-GLOBAL ID:200907003011695620   Nikkaji number:J1.281.182I

1,5,13,17-Tetratosyl-9,21-dibenzyl-1,5,9,13,17,21-hexaazacyclotetracosane

1,5,13,17-テトラトシル-9,21-ジベンジル-1,5,9,13,17,21-ヘキサアザシクロテトラコサン
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: C60H78N6O8S4
Molecular formula furigana: C60-H78-N6-O8-S4
Molecular weight: 1139.560
InChI: InChI=1S/C60H78N6O8S4/c1-51-21-29-57(30-22-51)75(67,68)63-41-11-37-61(49-55-17-7-5-8-18-55)38-12-43-65(77(71,72)59-33-25-53(3)26-34-59)47-16-48-66(78(73,74)60-35-27-54(4)28-36-60)44-14-40-62(50-56-19-9-6-10-20-56)39-13-42-64(46-15-45-63)76(69,70)58-31-23-52(2)24-32-58/h5-10,17-36H,11-16,37-50H2,1-4H3
InChI key: MNGFTGRTIKOUAD-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CCCN(CCCN(CCCN(Cc2ccccc2)CCCN(CCC1)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3):
  • 1,5,13,17-テトラトシル-9,21-ジベンジル-1,5,9,13,17,21-ヘキサアザシクロテトラコサン
  • 1,13-ジベンジル-5,9,17,21-テトラキス(4-メチルベンゼンスルホニル)-1,5,9,13,17,21-ヘキサアザシクロテトラコサン
  • 1,13-dibenzyl-5,9,17,21-tetrakis(4-methylbenzenesulfonyl)-1,5,9,13,17,21-hexaazacyclotetracosane
Other name (1):
  • 1,5,13,17-Tetratosyl-9,21-dibenzyl-1,5,9,13,17,21-hexaazacyclotetracosane
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