Chem
J-GLOBAL ID：200907002095615077   Nikkaji number：J325.347C

L-366682

L-366682
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： C40H53N9O6
Molecular formula furigana： C40-H53-N9-O6
Molecular weight： 755.921
InChI： InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29+,30+,31-,32-,33+,34-/m0/s1
InChI key： WCNGAVKBHXZVJO-JRNXVZILSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Systematic name  (5)：
  • シクロ(L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-D-His-)
  • シクロ(D-His-L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-)
  • シクロ[D-His-L-Pro-D-Trp-L-Ile-D-Pip-L-Pip-]
  • (1R,8S,11R,17S,20R,23S)-23-[(2S)-ブタン-2-イル]-11-[(1H-イミダゾール-4-イル)メチル]-20-[(1H-インドール-3-イル)メチル]-3,10,13,19,22,25-ヘキサアザテトラシクロ[23.4.0.03,8.013,17]ノナコサン-2,9,12,18,21,24-ヘキサオン
  • (1R,8S,11R,17S,20R,23S)-23-[(2S)-butan-2-yl]-11-[(1H-imidazol-4-yl)methyl]-20-[(1H-indol-3-yl)methyl]-3,10,13,19,22,25-hexaazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Other name (4)：
  • Cyclo(L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-D-His-)
  • L-366682
  • Cyclo[D-His-L-Pro-D-Trp-L-Ile-D-Pip-L-Pip-]
  • Cyclo(D-His-L-Pro-D-Trp-L-Ile-D-Hpr-L-Hpr-)
CAS registry number： 127819-96-9
Thsaurus map：
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