Chem
J-GLOBAL ID：201807007316747404
Nikkaji number：J3.731.298C
N-[ビス(4-フルオロフェニル)メチル]-1-[(2S)-5-カルバムイミドアミド-2-[2-エチル-2-(2-メチルプロパンアミド)ブタンアミド]ペンタンアミド]シクロペンタン-1-カルボキサミド
N-[ビス(4-フルオロフェニル)メチル]-1-[(2S)-5-カルバムイミドアミド-2-[2-エチル-2-(2-メチルプロパンアミド)ブタンアミド]ペンタンアミド]シクロペンタン-1-カルボキサミド
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： C35H49F2N7O4
Molecular formula furigana： C35-H49-F2-N7-O4
Molecular weight： 669.819
InChI：
InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
InChI key：
RZKSQRIPRKWVBU-MHZLTWQESA-N
SMILES：
C1(CCCC1)(C(=O)NC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CC)(NC(=O)C(C)C)CC
Systematic name (3)：
- 1-[[(2S)-[(アミノイミノメチル)アミノ]-2-[[2-エチル-2-[(2-メチル-1-オキソプロピル)アミノ]-1-オキソブチル]アミノ]-1-オキソペンチル]アミノ]-N-[ビス(4-フルオロフェニル)メチル]シクロペンタンカルボアミド
- N-[ビス(4-フルオロフェニル)メチル]-1-[(2S)-5-カルバムイミドアミド-2-[2-エチル-2-(2-メチルプロパンアミド)ブタンアミド]ペンタンアミド]シクロペンタン-1-カルボキサミド
- N-[bis(4-fluorophenyl)methyl]-1-[(2S)-5-carbamimidamido-2-[2-ethyl-2-(2-methylpropanamido)butanamido]pentanamido]cyclopentane-1-carboxamide
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