Chem
J-GLOBAL ID：200907035704267167   Nikkaji number：J2.234.308D

Ternatin

テルナチン
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： C37H67N7O8
Molecular formula furigana： C37-H67-N7-O8
Molecular weight： 737.984
InChI： InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)/t22-,23+,24-,25-,26-,27-,28+,29+,30+/m0/s1
InChI key： ZMFVAIFXJWEOMH-PTPSPKLBSA-N
SMILES： CC[C@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O)[C@H](O)C(C)C
Systematic name  (3)：
  • (3R)-3-ヒドロキシシクロ(D-Leu-D-aIle-N-メチル-Ala-N-メチル-Leu-Leu-N-メチル-Ala-N-メチル-D-Ala-)
  • (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-ブタン-2-イル]-18-[(1R)-1-ヒドロキシ-2-メチルプロピル]-1,3,4,10,12,13,21-ヘプタメチル-6,9-ビス(2-メチルプロピル)-1,4,7,10,13,16,19-ヘプタアザシクロヘンイコサン-2,5,8,11,14,17,20-ヘプタオン
  • (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone
Other name (5)：
  • (-)-テルナチン
  • (-)-Ternatin
  • テルナチン
  • Ternatin
  • (3R)-3-Hydroxycyclo(D-Leu-D-aIle-N-methyl-Ala-N-methyl-Leu-Leu-N-methyl-Ala-N-methyl-D-Ala-)
CAS registry number： 148619-41-4
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