Chem
J-GLOBAL ID：200907049904979162
Nikkaji number：J762.507C
2-[Nα-[1-(N-Methyl-D-phenylalanyl)-L-prolyl]-L-arginyl]-1-methyl-1H-benzimidazole
2-[Nα-[1-(N-メチル-D-フェニルアラニル)-L-プロリル]-L-アルギニル]-1-メチル-1H-ベンゾイミダゾール
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： C29H38N8O3
Molecular formula furigana： C29-H38-N8-O3
Molecular weight： 546.676
InChI：
InChI=1S/C29H38N8O3/c1-32-22(18-19-10-4-3-5-11-19)28(40)37-17-9-15-24(37)27(39)35-21(13-8-16-33-29(30)31)25(38)26-34-20-12-6-7-14-23(20)36(26)2/h3-7,10-12,14,21-22,24,32H,8-9,13,15-18H2,1-2H3,(H,35,39)(H4,30,31,33)/t21-,22+,24-/m0/s1
InChI key：
QMYCSIPHSWKVGL-ZDXQCDESSA-N
SMILES：
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2n1C
Systematic name (3)：
- 2-[Nα-[1-(N-メチル-D-フェニルアラニル)-L-プロリル]-L-アルギニル]-1-メチル-1H-ベンゾイミダゾール
- (2S)-N-[(2S)-5-カルバムイミドアミド-1-(1-メチル-1H-1,3-ベンゾジアゾール-2-イル)-1-オキソペンタン-2-イル]-1-[(2R)-2-(メチルアミノ)-3-フェニルプロパノイル]ピロリジン-2-カルボキサミド
- (2S)-N-[(2S)-5-carbamimidamido-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
- 2-[Nα-[1-(N-Methyl-D-phenylalanyl)-L-prolyl]-L-arginyl]-1-methyl-1H-benzimidazole
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