Chem
J-GLOBAL ID：200907015173747397   Nikkaji number：J2.740.186D

(D-Phe-D-Pro-D-Arg-)Chloromethane

(D-Phe-D-Pro-D-Arg-)クロロメタン
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： C21H31ClN6O3
Molecular formula furigana： C21-H31-CL-N6-O3
Molecular weight： 450.970
InChI： InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16-,17-/m1/s1
InChI key： KWPACVJPAFGBEQ-BRWVUGGUSA-N
SMILES： N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)CCl
Systematic name  (3)：
  • (D-Phe-D-Pro-D-Arg-)クロロメタン
  • (2R)-1-[(2R)-2-アミノ-3-フェニルプロパノイル]-N-[(3R)-6-カルバムイミドアミド-1-クロロ-2-オキソヘキサン-3-イル]ピロリジン-2-カルボキサミド
  • (2R)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(3R)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
Other name (1)：
  • (D-Phe-D-Pro-D-Arg-)Chloromethane
KEGG COMPOUND： C02828
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