Chem
J-GLOBAL ID：201807011872396731   Nikkaji number：J3.723.141J

Cyclo[Arg-Gly-Asp-D-Phe-N6-[3-(77Br)bromobenzoyl]-L-Lys-]

シクロ[Arg-Gly-Asp-D-Phe-N6-[3-(77Br)ブロモベンゾイル]-L-Lys-]
Substance type：
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
Molecular formula： C34H44BrN9O8
Molecular formula furigana： C34-H44-BR-N9-O8
Molecular weight： 786.685
InChI： InChI=1S/C34H44BrN9O8/c35-22-11-6-10-21(17-22)29(48)38-14-5-4-12-24-31(50)42-23(13-7-15-39-34(36)37)30(49)40-19-27(45)41-26(18-28(46)47)33(52)44-25(32(51)43-24)16-20-8-2-1-3-9-20/h1-3,6,8-11,17,23-26H,4-5,7,12-16,18-19H2,(H,38,48)(H,40,49)(H,41,45)(H,42,50)(H,43,51)(H,44,52)(H,46,47)(H4,36,37,39)/t23-,24-,25+,26-/m0/s1
InChI key： WSOVSMWFKDGQJD-SSUZURRFSA-N
SMILES： NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=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-[3-(77Br)ブロモベンゾイル]-L-Lys-]
  • 2-[(2S,5R,8S,11S)-5-ベンジル-8-{4-[(3-ブロモフェニル)ホルムアミド]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-[(3-bromophenyl)formamido]butyl}-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
Other name (1)：
  • Cyclo[Arg-Gly-Asp-D-Phe-N6-[3-(77Br)bromobenzoyl]-L-Lys-]
Thsaurus map：
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