Chem
J-GLOBAL ID：201807000075316526
Nikkaji number：J3.723.139H
Cyclo(Arg-Gly-Asp-3-(77Br)bromo-D-Tyr-L-Lys-)
シクロ(Arg-Gly-Asp-3-(77Br)ブロモ-D-Tyr-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： C27H40BrN9O8
Molecular formula furigana： C27-H40-BR-N9-O8
Molecular weight： 698.576
InChI：
InChI=1S/C27H40BrN9O8/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
InChI key：
ZIQZKAACMCZIOE-OKYOBFRVSA-N
SMILES：
NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)c(Br)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-(77Br)ブロモ-D-Tyr-L-Lys-)
- 2-[(2S,5R,8S,11S)-8-(4-アミノブチル)-5-[(3-ブロモ-4-ヒドロキシフェニル)メチル]-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)-8-(4-aminobutyl)-5-[(3-bromo-4-hydroxyphenyl)methyl]-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
- Cyclo(Arg-Gly-Asp-3-(77Br)bromo-D-Tyr-L-Lys-)
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