Chem
J-GLOBAL ID：200907072508137029   Nikkaji number：J277.776B

(MePhe7)neurokinin B

[MePhe7]ノイロキニンB
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： C60H81N13O14S2
Molecular formula furigana： C60-H81-N13-O14-S2
Molecular weight： 1272.510
InChI： InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI key： FWEMQPXASKKIMV-UILVTTEASA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N
Systematic name  (4)：
  • L-Asp-L-Met-L-His-L-Asp-L-Phe-L-Phe-N-メチル-L-Phe-Gly-L-Leu-Met-NH2
  • L-Asp-L-Met-L-His-L-Asp-L-Phe-L-Phe-N-メチル-L-Phe-Gly-L-Leu-L-Met-NH2
  • (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-カルボキシプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]カルバモイル}-3-メチルブチル]カルバモイル}メチル)カルバモイル]-2-フェニルエチル](メチル)カルバモイル}-2-フェニルエチル]カルバモイル}-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
Other name (4)：
  • [MePhe7]ノイロキニンB
  • [MePhe7]neurokinin B
  • [MePhe7]NKB
  • L-Asp-L-Met-L-His-L-Asp-L-Phe-L-Phe-N-Methyl-L-Phe-Gly-L-Leu-L-Met-NH2
Application (1)：
neuropeptide
Thsaurus map：
Thesaurus Map

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