Chem
J-GLOBAL ID:200907017850672776   Nikkaji number:J2.439.129I

172-Descarboxy-172-(1-pyrenylmethylcarbamoyl)-31,32-didehydrophytochlorin

172-デスカルボキシ-172-(1-ピレニルメチルカルバモイル)-31,32-ジデヒドロフィトクロリン
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: C50H45N5O2
Molecular formula furigana: C50-H45-N5-O2
Molecular weight: 747.943
InChI: InChI=1S/C50H45N5O2/c1-7-33-25(3)38-21-40-27(5)35(18-19-45(57)51-24-32-15-14-31-13-12-29-10-9-11-30-16-17-36(32)48(31)47(29)30)49(54-40)37-20-44(56)46-28(6)41(55-50(37)46)23-43-34(8-2)26(4)39(53-43)22-42(33)52-38/h7,9-17,21-23,27,35,52,55H,1,8,18-20,24H2,2-6H3,(H,51,57)/b38-21+,39-22-,40-21-,41-23-,42-22+,43-23-,49-37-/t27-,35-/m0/s1
InChI key: XFCAAMNRVNCABE-SRKMNIDPSA-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)C=C)[C@H]([C@@H]4CCC(=O)NCc2ccc4ccc5cccc6ccc2c4c56)C)/c3[nH]1)C
Systematic name  (3):
  • 172-デスカルボキシ-172-(1-ピレニルメチルカルバモイル)-31,32-ジデヒドロフィトクロリン
  • 3-[(21S,22S)-16-エテニル-11-エチル-12,17,21,26-テトラメチル-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]-N-[(ピレン-1-イル)メチル]プロパンアミド
  • 3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-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]-N-[(pyren-1-yl)methyl]propanamide
Other name (1):
  • 172-Descarboxy-172-(1-pyrenylmethylcarbamoyl)-31,32-didehydrophytochlorin
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