Chem
J-GLOBAL ID：200907069536213201   Nikkaji number：J390.582I

Ac-(D-Phe12)bombesin(6-14)

Ac-[D-Phe12]ボンベシン(6-14)
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： C52H75N13O12S
Molecular formula furigana： C52-H75-N13-O12-S
Molecular weight： 1106.310
InChI： InChI=1S/C52H75N13O12S/c1-27(2)21-37(49(74)61-35(45(55)70)19-20-78-7)63-50(75)38(22-31-13-9-8-10-14-31)60-43(69)26-57-52(77)44(28(3)4)65-46(71)29(5)58-48(73)39(23-32-25-56-34-16-12-11-15-33(32)34)64-47(72)36(17-18-41(53)67)62-51(76)40(24-42(54)68)59-30(6)66/h8-16,25,27-29,35-40,44,56H,17-24,26H2,1-7H3,(H2,53,67)(H2,54,68)(H2,55,70)(H,57,77)(H,58,73)(H,59,66)(H,60,69)(H,61,74)(H,62,76)(H,63,75)(H,64,72)(H,65,71)/t29-,35-,36-,37-,38+,39-,40-,44-/m0/s1
InChI key： UYUKMRJUCRVSKZ-CZDQOORDSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C)C(C)C)C(=O)N
Systematic name  (3)：
  • Ac-L-Asn-L-Gln-L-Trp-L-Ala-L-Val-Gly-D-Phe-L-Leu-L-Met-NH2
  • (2S)-2-[(2S)-3-カルバモイル-2-アセトアミドプロパンアミド]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-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}-2-フェニルエチル]カルバモイル}メチル)カルバモイル]-2-メチルプロピル]カルバモイル}エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]ペンタンジアミド
  • (2S)-2-[(2S)-3-carbamoyl-2-acetamidopropanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]pentanediamide
Other name (2)：
  • Ac-[D-Phe12]ボンベシン(6-14)
  • Ac-[D-Phe12]bombesin(6-14)
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