Chem
J-GLOBAL ID：201807010030413100
Nikkaji number：J3.723.142H
Cyclo[Arg-Gly-Asp-D-Phe-N6-[[2-[2-[[3-(77Br)bromobenzoyl]amino]ethoxy]ethoxy]acetyl]-L-Lys-]
シクロ[Arg-Gly-Asp-D-Phe-N6-[[2-[2-[[3-(77Br)ブロモベンゾイル]アミノ]エトキシ]エトキシ]アセチル]-L-Lys-]
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： C40H55BrN10O11
Molecular formula furigana： C40-H55-BR-N10-O11
Molecular weight： 931.843
InChI：
InChI=1S/C40H55BrN10O11/c41-27-11-6-10-26(21-27)35(56)45-16-17-61-18-19-62-24-33(53)44-14-5-4-12-29-37(58)49-28(13-7-15-46-40(42)43)36(57)47-23-32(52)48-31(22-34(54)55)39(60)51-30(38(59)50-29)20-25-8-2-1-3-9-25/h1-3,6,8-11,21,28-31H,4-5,7,12-20,22-24H2,(H,44,53)(H,45,56)(H,47,57)(H,48,52)(H,49,58)(H,50,59)(H,51,60)(H,54,55)(H4,42,43,46)/t28-,29-,30+,31-/m0/s1
InChI key：
XZFFLZOVTFHLCU-MBEDZMRZSA-N
SMILES：
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)c2cccc(Br)c2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
Systematic name (3)：
- シクロ[Arg-Gly-Asp-D-Phe-N6-[[2-[2-[[3-(77Br)ブロモベンゾイル]アミノ]エトキシ]エトキシ]アセチル]-L-Lys-]
- 2-[(2S,5R,8S,11S)-5-ベンジル-8-{4-[2-(2-{2-[(3-ブロモフェニル)ホルムアミド]エトキシ}エトキシ)アセトアミド]ブチル}-11-(3-カルバムイミドアミドプロピル)-3,6,9,12,15-ペンタオキソ-1,4,7,10,13-ペンタアザシクロペンタデカン-2-イル]酢酸
- 2-[(2S,5R,8S,11S)-5-benzyl-8-{4-[2-(2-{2-[(3-bromophenyl)formamido]ethoxy}ethoxy)acetamido]butyl}-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
- Cyclo[Arg-Gly-Asp-D-Phe-N6-[[2-[2-[[3-(77Br)bromobenzoyl]amino]ethoxy]ethoxy]acetyl]-L-Lys-]
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