Chem
J-GLOBAL ID：200907003366533205
Nikkaji number：J1.523.605A
N-Benzyl-Nα-[N-[[[1-(2,6-dichlorobenzyl)-3-(pyrrolizinomethyl)-1H-indole-6-yl]amino]carbonyl]-4-methoxy-L-phenylglycyl]-L-argininamide
N-ベンジル-Nα-[N-[[[1-(2,6-ジクロロベンジル)-3-(ピロリジノメチル)-1H-インドール-6-イル]アミノ]カルボニル]-4-メトキシ-L-フェニルグリシル]-L-アルギニンアミド
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： C43H49Cl2N9O4
Molecular formula furigana： C43-H49-CL2-N9-O4
Molecular weight： 826.820
InChI：
InChI=1S/C43H49Cl2N9O4/c1-58-32-17-14-29(15-18-32)39(41(56)51-37(13-8-20-48-42(46)47)40(55)49-24-28-9-3-2-4-10-28)52-43(57)50-31-16-19-33-30(25-53-21-5-6-22-53)26-54(38(33)23-31)27-34-35(44)11-7-12-36(34)45/h2-4,7,9-12,14-19,23,26,37,39H,5-6,8,13,20-22,24-25,27H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t37-,39-/m0/s1
InChI key：
YTFOFIFTUAYRKT-QARUCVQPSA-N
SMILES：
COc1ccc(cc1)[C@H](NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1
Systematic name (3)：
- N-ベンジル-Nα-[N-[[[1-(2,6-ジクロロベンジル)-3-(ピロリジノメチル)-1H-インドール-6-イル]アミノ]カルボニル]-4-メトキシ-L-フェニルグリシル]-L-アルギニンアミド
- (2S)-N-ベンジル-5-カルバムイミドアミド-2-[(2S)-2-[({1-[(2,6-ジクロロフェニル)メチル]-3-[(ピロリジン-1-イル)メチル]-1H-インドール-6-イル}カルバモイル)アミノ]-2-(4-メトキシフェニル)アセトアミド]ペンタンアミド
- (2S)-N-benzyl-5-carbamimidamido-2-[(2S)-2-[({1-[(2,6-dichlorophenyl)methyl]-3-[(pyrrolidin-1-yl)methyl]-1H-indol-6-yl}carbamoyl)amino]-2-(4-methoxyphenyl)acetamido]pentanamide
- N-Benzyl-Nα-[N-[[[1-(2,6-dichlorobenzyl)-3-(pyrrolizinomethyl)-1H-indole-6-yl]amino]carbonyl]-4-methoxy-L-phenylglycyl]-L-argininamide
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