Chem
J-GLOBAL ID：200907071174702564   Nikkaji number：J258.434D

MEN-10207

MEN-10207
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： C57H68N14O10
Molecular formula furigana： C57-H68-N14-O10
Molecular weight： 1109.259
InChI： InChI=1S/C57H68N14O10/c1-30(2)49(71-55(80)47(25-34-29-65-42-15-8-5-12-38(34)42)69-52(77)44(22-31-17-19-35(72)20-18-31)67-51(76)39(58)26-48(73)74)56(81)70-46(24-33-28-64-41-14-7-4-11-37(33)41)54(79)68-45(23-32-27-63-40-13-6-3-10-36(32)40)53(78)66-43(50(59)75)16-9-21-62-57(60)61/h3-8,10-15,17-20,27-30,39,43-47,49,63-65,72H,9,16,21-26,58H2,1-2H3,(H2,59,75)(H,66,78)(H,67,76)(H,68,79)(H,69,77)(H,70,81)(H,71,80)(H,73,74)(H4,60,61,62)/t39-,43-,44-,45+,46+,47+,49-/m0/s1
InChI key： RLHLZLAKTUPWES-PEURKWGASA-N
SMILES： CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N
Systematic name  (4)：
  • Asp-Tyr-D-Trp-Val-D-Trp-D-Trp-Arg-NH2
  • L-Asp-L-Tyr-D-Trp-L-Val-D-Trp-D-Trp-L-Arg-NH2
  • (3S)-3-アミノ-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-4-カルバムイミドアミド-1-カルバモイルブチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-メチルプロピル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}プロパン酸
  • (3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Other name (4)：
  • [Tyr5,D-Trp6,8,9Arg10]NKA-(4-10)
  • [Tyr5,D-Trp6,8,9,Arg10]neurokininA(4-10)
  • [Tyr5,D-Trp6,8,9,Arg10]ノイロキニンA(4-10)
  • MEN-10207
Application (1)：
neurokinin
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