Chem
J-GLOBAL ID:200907024432901617   Nikkaji number:J1.020.732K

(αR,α′S)-[2,2′-Methylenebis[α-(methylthio)-4-methyl-5-[(3-ethyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-1H-pyrrole-3-propionic acid]]

(αR,α′S)-[2,2′-メチレンビス[α-(メチルチオ)-4-メチル-5-[(3-エチル-4-メチル-5-オキソ-3-ピロリン-2-イリデン)メチル]-1H-ピロール-3-プロピオン酸]]
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: C35H44N4O6S2
Molecular formula furigana: C35-H44-N4-O6-S2
Molecular weight: 680.880
InChI: InChI=1S/C35H44N4O6S2/c1-9-20-18(5)32(40)38-26(20)13-24-16(3)22(11-30(46-7)34(42)43)28(36-24)15-29-23(12-31(47-8)35(44)45)17(4)25(37-29)14-27-21(10-2)19(6)33(41)39-27/h13-14,30-31,36-37H,9-12,15H2,1-8H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/t30-,31+
InChI key: YXZLNOOFDXWKKB-QRRGNZNSSA-N
SMILES: CCC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2[nH]c(C=C3NC(=O)C(=C3CC)C)c(C)c2C[C@H](SC)C(=O)O)c(C[C@@H](SC)C(=O)O)c1C
Systematic name  (3):
  • (αR,α′S)-[2,2′-メチレンビス[α-(メチルチオ)-4-メチル-5-[(3-エチル-4-メチル-5-オキソ-3-ピロリン-2-イリデン)メチル]-1H-ピロール-3-プロピオン酸]]
  • (2R)-3-[2-({3-[(2S)-2-カルボキシ-2-(メチルスルファニル)エチル]-5-[(3-エチル-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-1H-ピロール-2-イル}メチル)-5-[(3-エチル-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-1H-ピロール-3-イル]-2-(メチルスルファニル)プロパン酸
  • (2R)-3-[2-({3-[(2S)-2-carboxy-2-(methylsulfanyl)ethyl]-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methyl)-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-2-(methylsulfanyl)propanoic acid
Other name (1):
  • (αR,α′S)-[2,2′-Methylenebis[α-(methylthio)-4-methyl-5-[(3-ethyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-1H-pyrrole-3-propionic acid]]
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