Chem
J-GLOBAL ID：200907004485857716
Nikkaji number：J1.179.680J
N,N′-Bis[3,5-bis[(carboxymethyl)carbamoyl]phenyl]-2,8,12,17-tetramethyl-13,18-divinyl-21H,23H-porphyrin-3,7-bispropanamide
N,N′-ビス[3,5-ビス[(カルボキシメチル)カルバモイル]フェニル]-2,8,12,17-テトラメチル-13,18-ジビニル-21H,23H-ポルフィリン-3,7-ビスプロパンアミド
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： C58H56N10O14
Molecular formula furigana： C58-H56-N10-O14
Molecular weight： 1117.142
InChI：
InChI=1S/C58H56N10O14/c1-7-37-27(3)41-19-42-29(5)39(9-11-49(69)63-35-15-31(55(79)59-23-51(71)72)13-32(16-35)56(80)60-24-52(73)74)47(67-42)22-48-40(30(6)44(68-48)21-46-38(8-2)28(4)43(66-46)20-45(37)65-41)10-12-50(70)64-36-17-33(57(81)61-25-53(75)76)14-34(18-36)58(82)62-26-54(77)78/h7-8,13-22,65,68H,1-2,9-12,23-26H2,3-6H3,(H,59,79)(H,60,80)(H,61,81)(H,62,82)(H,63,69)(H,64,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)/b41-19-,42-19-,43-20-,44-21-,45-20-,46-21-,47-22-,48-22-
InChI key：
GSRMGZWFIMUBJX-NLONLUIHSA-N
SMILES：
CC1=C(CCC(=O)Nc2cc(cc(c2)C(=O)NCC(=O)O)C(=O)NCC(=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)Nc2cc(cc(c2)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=C3C)C=C)c(c1C)C=C
Systematic name (1)：
- N,N′-ビス[3,5-ビス[(カルボキシメチル)カルバモイル]フェニル]-2,8,12,17-テトラメチル-13,18-ジビニル-21H,23H-ポルフィリン-3,7-ビスプロパンアミド
- N,N′-Bis[3,5-bis[(carboxymethyl)carbamoyl]phenyl]-2,8,12,17-tetramethyl-13,18-divinyl-21H,23H-porphyrin-3,7-bispropanamide
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