Chem
J-GLOBAL ID：200907030603981940
Nikkaji number：J1.633.308E
2,7,13,17-Tetramethyl-3,18-divinyl-12-[3-[[2-[3-(4′-methyl-2,2′-bipyridin-4-yl)propoxy]ethyl]amino]-3-oxopropyl]-21H,23H-porphyrin-8-propanoic acid
2,7,13,17-テトラメチル-3,18-ジビニル-12-[3-[[2-[3-(4′-メチル-2,2′-ビピリジン-4-イル)プロポキシ]エチル]アミノ]-3-オキソプロピル]-21H,23H-ポルフィリン-8-プロパン酸
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： C50H53N7O4
Molecular formula furigana： C50-H53-N7-O4
Molecular weight： 816.019
InChI：
InChI=1S/C50H53N7O4/c1-8-35-30(4)39-25-40-32(6)37(12-14-49(58)53-20-22-61-21-10-11-34-17-19-52-48(24-34)47-23-29(3)16-18-51-47)45(56-40)28-46-38(13-15-50(59)60)33(7)42(57-46)27-44-36(9-2)31(5)41(55-44)26-43(35)54-39/h8-9,16-19,23-28,55-56H,1-2,10-15,20-22H2,3-7H3,(H,53,58)(H,59,60)/b39-25-,40-25-,41-26-,42-27-,43-26-,44-27-,45-28-,46-28-
InChI key：
CAMREKWCGIBTRV-ACCYKMTPSA-N
SMILES：
CC1=C(CCC(=O)O)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)NCCOCCCc2ccnc(c2)c2cc(C)ccn2)C(=C3C=C)C)c(c1C=C)C
Systematic name (1)：
- 2,7,13,17-テトラメチル-3,18-ジビニル-12-[3-[[2-[3-(4′-メチル-2,2′-ビピリジン-4-イル)プロポキシ]エチル]アミノ]-3-オキソプロピル]-21H,23H-ポルフィリン-8-プロパン酸
- 2,7,13,17-Tetramethyl-3,18-divinyl-12-[3-[[2-[3-(4′-methyl-2,2′-bipyridin-4-yl)propoxy]ethyl]amino]-3-oxopropyl]-21H,23H-porphyrin-8-propanoic acid
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