Chem
J-GLOBAL ID：201807002130613155   Nikkaji number：J3.723.140A

Cyclo(Arg-Gly-Asp-3-(125I)iodo-D-Tyr-L-Lys-)

シクロ(Arg-Gly-Asp-3-(125I)ヨード-D-Tyr-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： C27H40[125I]N9O8
Molecular formula furigana： C27-H40-I-N9-O8
Molecular weight： 743.577
InChI： InChI=1S/C27H40IN9O8/c28-15-10-14(6-7-20(15)38)11-18-25(44)36-17(4-1-2-8-29)24(43)35-16(5-3-9-32-27(30)31)23(42)33-13-21(39)34-19(12-22(40)41)26(45)37-18/h6-7,10,16-19,38H,1-5,8-9,11-13,29H2,(H,33,42)(H,34,39)(H,35,43)(H,36,44)(H,37,45)(H,40,41)(H4,30,31,32)/t16-,17-,18+,19-/m0/s1/i28-2
InChI key： NARKDYIBDPNZGC-GQZVDHSLSA-N
SMILES： NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)c([125I])c2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O
Systematic name  (3)：
  • シクロ(Arg-Gly-Asp-3-(125I)ヨード-D-Tyr-L-Lys-)
  • 2-[(2S,5R,8S,11S)-8-(4-アミノブチル)-11-(3-カルバムイミドアミドプロピル)-5-{[4-ヒドロキシ-3-(125I)ヨードフェニル]メチル}-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)-8-(4-aminobutyl)-11-(3-carbamimidamidopropyl)-5-{[4-hydroxy-3-(125I)iodophenyl]methyl}-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
Other name (1)：
  • Cyclo(Arg-Gly-Asp-3-(125I)iodo-D-Tyr-L-Lys-)
Thsaurus map：
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