Chem
J-GLOBAL ID：201107072296640556
Nikkaji number：J2.925.821J
(3S)-2-[[(2Z)-3-Methyl-4-vinyl-5-oxo-3-pyrroline-2-ylidene]methyl]-3β-methyl-5-[(5R,6Z)-2-(3-ethyl-4-methyl-5-formyl-1H-pyrrole-2-ylmethyl)-3-methyl-4-oxo-5α-(methoxycarbonyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-6-ylidene]-1-pyrroline-4α-propanoic acid
(3S)-2-[[(2Z)-3-メチル-4-ビニル-5-オキソ-3-ピロリン-2-イリデン]メチル]-3β-メチル-5-[(5R,6Z)-2-(3-エチル-4-メチル-5-ホルミル-1H-ピロール-2-イルメチル)-3-メチル-4-オキソ-5α-(メトキシカルボニル)-1,4,5,6-テトラヒドロシクロペンタ[b]ピロール-6-イリデン]-1-ピロリン-4α-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： C35H38N4O7
Molecular formula furigana： C35-H38-N4-O7
Molecular weight： 626.710
InChI：
InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1
InChI key：
ZDEZVOKVUGXDCZ-FATBKOMMSA-N
SMILES：
CCc1c(C)c(C=O)[nH]c1Cc1[nH]c2/C(=C/3\N=C(/C=C/4\NC(=O)C(=C4C)C=C)[C@@H](C)[C@@H]3CCC(=O)O)/[C@@H](C(=O)OC)C(=O)c2c1C
Systematic name (3)：
- (3S)-2-[[(2Z)-3-メチル-4-ビニル-5-オキソ-3-ピロリン-2-イリデン]メチル]-3β-メチル-5-[(5R,6Z)-2-(3-エチル-4-メチル-5-ホルミル-1H-ピロール-2-イルメチル)-3-メチル-4-オキソ-5α-(メトキシカルボニル)-1,4,5,6-テトラヒドロシクロペンタ[b]ピロール-6-イリデン]-1-ピロリン-4α-プロパン酸
- 3-[(3S,4S)-5-{[(2Z)-4-エテニル-3-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}-2-[(5R,6Z)-2-[(3-エチル-5-ホルミル-4-メチル-1H-ピロール-2-イル)メチル]-5-(メトキシカルボニル)-3-メチル-4-オキソ-1H,4H,5H,6H-シクロペンタ[b]ピロール-6-イリデン]-4-メチル-3,4-ジヒドロ-2H-ピロール-3-イル]プロパン酸
- 3-[(3S,4S)-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-2-[(5R,6Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl]propanoic acid
- (3S)-2-[[(2Z)-3-Methyl-4-vinyl-5-oxo-3-pyrroline-2-ylidene]methyl]-3β-methyl-5-[(5R,6Z)-2-(3-ethyl-4-methyl-5-formyl-1H-pyrrole-2-ylmethyl)-3-methyl-4-oxo-5α-(methoxycarbonyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-6-ylidene]-1-pyrroline-4α-propanoic acid
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