Chem
J-GLOBAL ID：202007009115899711
Nikkaji number：J3.749.535B
Nα-[N-[4-[[N-(Nα-アセチル-L-アルギニル)-3-(1-ピレニル)-L-アラニル]アミノ]ブタノイル]-3-(1-ピレニル)-L-アラニル]-L-アルギニンアミド
Nα-[N-[4-[[N-(Nα-アセチル-L-アルギニル)-3-(1-ピレニル)-L-アラニル]アミノ]ブタノイル]-3-(1-ピレニル)-L-アラニル]-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： C56H62N12O6
Molecular formula furigana： C56-H62-N12-O6
Molecular weight： 999.190
InChI：
InChI=1S/C56H62N12O6/c1-31(69)65-43(12-5-28-64-56(60)61)53(73)68-44(29-38-20-18-36-16-14-32-7-2-9-34-22-24-40(38)49(36)47(32)34)52(72)62-26-6-13-46(70)66-45(54(74)67-42(51(57)71)11-4-27-63-55(58)59)30-39-21-19-37-17-15-33-8-3-10-35-23-25-41(39)50(37)48(33)35/h2-3,7-10,14-25,42-45H,4-6,11-13,26-30H2,1H3,(H2,57,71)(H,62,72)(H,65,69)(H,66,70)(H,67,74)(H,68,73)(H4,58,59,63)(H4,60,61,64)/t42-,43-,44-,45-/m0/s1
InChI key：
RBTISYJHCXPJIV-HRBFTXTFSA-N
SMILES：
N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)[C@@H](NC(=O)CCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCNC(=N)N)Cc1ccc2ccc3cccc4ccc1c2c34)Cc1ccc2ccc3cccc4ccc1c2c34
Systematic name (3)：
- Nα-[N-[4-[[N-(Nα-アセチル-L-アルギニル)-3-(1-ピレニル)-L-アラニル]アミノ]ブタノイル]-3-(1-ピレニル)-L-アラニル]-L-アルギニンアミド
- (2S)-2-[(2S)-2-{4-[(2S)-2-[(2S)-5-カルバムイミドアミド-2-アセトアミドペンタンアミド]-3-(ピレン-1-イル)プロパンアミド]ブタンアミド}-3-(ピレン-1-イル)プロパンアミド]-5-[(ジアミノメチリデン)アミノ]ペンタンアミド
- (2S)-2-[(2S)-2-{4-[(2S)-2-[(2S)-5-carbamimidamido-2-acetamidopentanamido]-3-(pyren-1-yl)propanamido]butanamido}-3-(pyren-1-yl)propanamido]-5-[(diaminomethylidene)amino]pentanamide
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