Chem
J-GLOBAL ID:200907025776444653   Nikkaji number:J1.013.206A

Cyclo(D-Trp-Lys-Thr-Phe-N-benzyl-Phe-)

シクロ(D-Trp-Lys-Thr-Phe-N-ベンジル-Phe-)
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: C46H53N7O6
Molecular formula furigana: C46-H53-N7-O6
Molecular weight: 799.973
InChI: InChI=1S/C46H53N7O6/c1-30(54)41-45(58)51-39(25-31-15-5-2-6-16-31)46(59)53(29-33-19-9-4-10-20-33)40(26-32-17-7-3-8-18-32)44(57)50-38(27-34-28-48-36-22-12-11-21-35(34)36)43(56)49-37(42(55)52-41)23-13-14-24-47/h2-12,15-22,28,30,37-41,48,54H,13-14,23-27,29,47H2,1H3,(H,49,56)(H,50,57)(H,51,58)(H,52,55)/t30-,37+,38-,39+,40+,41+/m1/s1
InChI key: ULDBOBYGZCVBIP-ZBPUHVFZSA-N
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O
Systematic name  (3):
  • シクロ(D-Trp-Lys-Thr-Phe-N-ベンジル-Phe-)
  • (3S,6S,9S,12R,15S)-9-(4-アミノブチル)-1,3,15-トリベンジル-6-[(1R)-1-ヒドロキシエチル]-12-[(1H-インドール-3-イル)メチル]-1,4,7,10,13-ペンタアザシクロペンタデカン-2,5,8,11,14-ペンタオン
  • (3S,6S,9S,12R,15S)-9-(4-aminobutyl)-1,3,15-tribenzyl-6-[(1R)-1-hydroxyethyl]-12-[(1H-indol-3-yl)methyl]-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentone
Other name (1):
  • Cyclo(D-Trp-Lys-Thr-Phe-N-benzyl-Phe-)
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