Chem
J-GLOBAL ID：201407016233106007   Nikkaji number：J3.237.156F

(17S,18S)-131(132H)-Oxo-8-ethyl-2,7,12,18-tetramethyl-3-(oxazole-5-yl)-17,18-dihydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid methyl ester

(17S,18S)-131(132H)-オキソ-8-エチル-2,7,12,18-テトラメチル-3-(オキサゾール-5-イル)-17,18-ジヒドロ-21H,23H-シクロペンタ[mn]ポルフィリン-17-プロパン酸メチル
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： C35H35N5O4
Molecular formula furigana： C35-H35-N5-O4
Molecular weight： 589.696
InChI： InChI=1S/C35H35N5O4/c1-7-20-16(2)23-13-28-32(30-14-36-15-44-30)18(4)25(38-28)11-24-17(3)21(8-9-31(42)43-6)34(39-24)22-10-29(41)33-19(5)26(40-35(22)33)12-27(20)37-23/h11-15,17,21,38,40H,7-10H2,1-6H3/b23-13-,24-11-,25-11+,26-12-,27-12-,28-13+,34-22-/t17-,21-/m0/s1
InChI key： SFTRUTSIHJVYQW-QRBBGKSISA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3C(=O)C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)c2cnco2)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (4)：
  • (17S,18S)-131(132H)-オキソ-8-エチル-2,7,12,18-テトラメチル-3-(オキサゾール-5-イル)-17,18-ジヒドロ-21H,23H-シクロペンタ[mn]ポルフィリン-17-プロパン酸メチル
  • (17S,18S)-8-エチル-3-(オキサゾール-5-イル)-131(132H)-オキソ-2,7,12,18-テトラメチル-17,18-ジヒドロ-21H,23H-シクロペンタ[mn]ポルフィリン-17-プロパン酸メチル
  • メチル 3-[(21S,22S)-11-エチル-12,17,21,26-テトラメチル-16-(1,3-オキサゾール-5-イル)-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-22-イル]プロパノアート
  • methyl 3-[(21S,22S)-11-ethyl-12,17,21,26-tetramethyl-16-(1,3-oxazol-5-yl)-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoate
Other name (2)：
  • (17S,18S)-131(132H)-Oxo-8-ethyl-2,7,12,18-tetramethyl-3-(oxazole-5-yl)-17,18-dihydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid methyl ester
  • (17S,18S)-8-Ethyl-3-(oxazole-5-yl)-131(132H)-oxo-2,7,12,18-tetramethyl-17,18-dihydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid methyl ester
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