Chem
J-GLOBAL ID：200907021872761427   Nikkaji number：J245.974D

Ac-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2

Ac-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2
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： C45H67N13O10S
Molecular formula furigana： C45-H67-N13-O10-S
Molecular weight： 982.170
InChI： InChI=1S/C45H67N13O10S/c1-23(2)16-33(43(66)55-31(39(47)62)14-15-69-7)56-44(67)35(18-28-20-48-22-51-28)54-37(61)21-50-45(68)38(24(3)4)58-40(63)25(5)52-42(65)34(17-27-19-49-30-11-9-8-10-29(27)30)57-41(64)32(53-26(6)59)12-13-36(46)60/h8-11,19-20,22-25,31-35,38,49H,12-18,21H2,1-7H3,(H2,46,60)(H2,47,62)(H,48,51)(H,50,68)(H,52,65)(H,53,59)(H,54,61)(H,55,66)(H,56,67)(H,57,64)(H,58,63)/t25-,31-,32-,33-,34-,35-,38-/m0/s1
InChI key： HGMWCLNMIBXTTP-RGLUZXIKSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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)C(C)C)C(=O)N
Systematic name  (4)：
  • Ac-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-L-Leu-L-Met-NH2
  • Ac-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2
  • (2S)-N-[(1S)-1-{[(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}-2-(1H-イミダゾール-4-イル)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]-2-アセトアミドペンタンジアミド
  • (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-acetamidopentanediamide
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