Chem
J-GLOBAL ID：200907085720294066   Nikkaji number：J1.349.764H

Microcyclamide

ミクロシクラミド
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： C26H30N8O4S2
Molecular formula furigana： C26-H30-N8-O4-S2
Molecular weight： 582.700
InChI： InChI=1S/C26H30N8O4S2/c1-6-12(2)19-26-31-18(10-40-26)22(36)29-16(7-15-8-27-11-34(15)5)25-30-17(9-39-25)21(35)28-13(3)24-33-20(14(4)38-24)23(37)32-19/h8-13,16,19H,6-7H2,1-5H3,(H,28,35)(H,29,36)(H,32,37)/t12-,13-,16-,19-/m0/s1
InChI key： VJNFZONNMHDIHW-DYIBVVGTSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2cncn2C)NC(=O)c2csc1n2
Systematic name  (3)：
  • (2S,9S,16S)-2-[(3-メチル-3H-イミダゾール-4-イル)メチル]-9-[(1S)-1-メチルプロピル]-13,16-ジメチル-3,10,17,22,23,24-ヘキサアザ-14-オキサ-7,21-ジチアテトラシクロ[17.2.1.15,8.112,15]テトラコサン-1(22),5,8(24),12,15(23),19-ヘキサエン-4,11,18-トリオン
  • (4S,11S,18S)-11-[(2S)-ブタン-2-イル]-4,7-ジメチル-18-[(1-メチル-1H-イミダゾール-5-イル)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,18S)-11-[(2S)-butan-2-yl]-4,7-dimethyl-18-[(1-methyl-1H-imidazol-5-yl)methyl]-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 (3)：
  • (2S,9S,16S)-2-[(3-Methyl-3H-imidazol-4-yl)methyl]-9-[(1S)-1-methylpropyl]-13,16-dimethyl-3,10,17,22,23,24-hexaaza-14-oxa-7,21-dithiatetracyclo[17.2.1.15,8.112,15]tetracosane-1(22),5,8(24),12,15(23),19-hexaene-4,11,18-trione
  • ミクロシクラミド
  • Microcyclamide
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