Chem
J-GLOBAL ID：201507000646654341
Nikkaji number：J3.440.360K
2-[[3-[3-Oxo-3-(allyloxy)propyl]-4-methyl-5-[(Z)-[3-vinyl-4-methyl-5-oxo-1H-pyrrole-2(5H)-ylidene]methyl]-2H-pyrrole-2-ylidene]methyl]-4-methyl-5-[(7Z,9E)-1-methyl-2-ethyl-3-oxo-5,6-dihydro-3H-pyrrolo[1,2-a]azepine-9-yl]-1H-pyrrole-3-propionic acid allyl ester
2-[[3-[3-オキソ-3-(アリルオキシ)プロピル]-4-メチル-5-[(Z)-[3-ビニル-4-メチル-5-オキソ-1H-ピロール-2(5H)-イリデン]メチル]-2H-ピロール-2-イリデン]メチル]-4-メチル-5-[(7Z,9E)-1-メチル-2-エチル-3-オキソ-5,6-ジヒドロ-3H-ピロロ[1,2-a]アゼピン-9-イル]-1H-ピロール-3-プロピオン酸アリル
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： C43H48N4O6
Molecular formula furigana： C43-H48-N4-O6
Molecular weight： 716.879
InChI：
InChI=1S/C43H48N4O6/c1-9-21-52-38(48)18-16-31-25(5)34(23-35-29(11-3)28(8)42(50)46-35)44-36(31)24-37-32(17-19-39(49)53-22-10-2)26(6)40(45-37)33-15-13-14-20-47-41(33)27(7)30(12-4)43(47)51/h9-11,13,15,23-24,45H,1-3,12,14,16-22H2,4-8H3,(H,46,50)/b35-23-,36-24?
InChI key：
GEYPZNVBBQIJPU-YKWWDZIZSA-N
SMILES：
CCC1=C(C)C2=C(C=CCCN2C1=O)c1[nH]c(C=C2N=C(/C=C/3\NC(=O)C(=C3C=C)C)C(=C2CCC(=O)OCC=C)C)c(CCC(=O)OCC=C)c1C
Systematic name (3)：
- 2-[[3-[3-オキソ-3-(アリルオキシ)プロピル]-4-メチル-5-[(Z)-[3-ビニル-4-メチル-5-オキソ-1H-ピロール-2(5H)-イリデン]メチル]-2H-ピロール-2-イリデン]メチル]-4-メチル-5-[(7Z,9E)-1-メチル-2-エチル-3-オキソ-5,6-ジヒドロ-3H-ピロロ[1,2-a]アゼピン-9-イル]-1H-ピロール-3-プロピオン酸アリル
- プロパ-2-エン-1-イル 3-{2-[(5-{[(2Z)-3-エテニル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン]メチル}-4-メチル-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-2H-ピロール-2-イリデン)メチル]-5-{2-エチル-1-メチル-3-オキソ-3H,5H,6H-ピロロ[1,2-a]アゼピン-9-イル}-4-メチル-1H-ピロール-3-イル}プロパノアート
- prop-2-en-1-yl 3-{2-[(5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-2H-pyrrol-2-ylidene)methyl]-5-{2-ethyl-1-methyl-3-oxo-3H,5H,6H-pyrrolo[1,2-a]azepin-9-yl}-4-methyl-1H-pyrrol-3-yl}propanoate
- 2-[[3-[3-Oxo-3-(allyloxy)propyl]-4-methyl-5-[(Z)-[3-vinyl-4-methyl-5-oxo-1H-pyrrole-2(5H)-ylidene]methyl]-2H-pyrrole-2-ylidene]methyl]-4-methyl-5-[(7Z,9E)-1-methyl-2-ethyl-3-oxo-5,6-dihydro-3H-pyrrolo[1,2-a]azepine-9-yl]-1H-pyrrole-3-propionic acid allyl ester
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