Chem
J-GLOBAL ID：200907062962445573
Nikkaji number：J960.819B
[D-Phe6,β-Ala11,Phe13,Nle14]bombesin(6-14)
[D-Phe6,β-Ala11,Phe13,Nle14]ボンベシン(6-14)
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
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
Molecular formula： C57H76N14O10
Molecular formula furigana： C57-H76-N14-O10
Molecular weight： 1117.323
InChI：
InChI=1S/C57H76N14O10/c1-6-7-21-40(50(61)74)66-55(79)42(26-35-18-12-9-13-19-35)69-57(81)48(46(49(73)32(4)58)44-29-62-30-64-44)71-56(80)47(31(2)3)70-51(75)33(5)65-54(78)43(27-36-28-63-39-22-15-14-20-37(36)39)68-53(77)41(23-24-45(60)72)67-52(76)38(59)25-34-16-10-8-11-17-34/h8-20,22,28-33,38,40-43,46-48,63H,6-7,21,23-27,58-59H2,1-5H3,(H2,60,72)(H2,61,74)(H,62,64)(H,65,78)(H,66,79)(H,67,76)(H,68,77)(H,69,81)(H,70,75)(H,71,80)/t32-,33-,38+,40-,41-,42-,43-,46?,47-,48-/m0/s1
InChI key：
PBYVDYCRLLUTCI-DZNNHCKLSA-N
SMILES：
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=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](N)Cc1ccccc1)C(C)C)C(C(=O)[C@H](C)N)c1c[nH]cn1)C(=O)N
Systematic name (3)：
- D-Phe-L-Gln-L-Trp-L-Ala-L-Val-β-Ala-L-His-L-Phe-L-Nle-NH2
- (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,4S)-4-アミノ-1-{[(1S)-1-{[(1S)-1-カルバモイルペンチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-(1H-イミダゾール-4-イル)-3-オキソペンチル]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]-2-[(2R)-2-アミノ-3-フェニルプロパンアミド]ペンタンジアミド
- (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,4S)-4-amino-1-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)-3-oxopentyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2R)-2-amino-3-phenylpropanamido]pentanediamide
- [D-Phe6,β-Ala11,Phe13,Nle14]ボンベシン(6-14)
- [D-Phe6,β-Ala11,Phe13,Nle14]bombesin(6-14)
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