Chem
J-GLOBAL ID：200907091264734881   Nikkaji number：J776.603C

MEN-10376

MEN-10376
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： C57H68N12O10
Molecular formula furigana： C57-H68-N12-O10
Molecular weight： 1081.245
InChI： InChI=1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1
InChI key： QQHOFZNACVKNHK-SXVLBCBNSA-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](CCCCN)C(=O)N
Systematic name  (3)：
  • L-Asp-L-Tyr-D-Trp-L-Val-D-Trp-D-Trp-L-Lys-NH2
  • (3S)-3-アミノ-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-5-アミノ-1-カルバモイルペンチル]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)-5-amino-1-carbamoylpentyl]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 (3)：
  • [Tyr5,D-Trp6,8,9,Lys10]ノイロキニンA(4-10)
  • MEN-10376
  • [Tyr5,D-Trp6,8,9,Lys10]neurokinin A(4-10)
Thsaurus map：
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