Chem
J-GLOBAL ID：200907057961151840   Nikkaji number：J1.000.704F

(2R)-1,19-Dioxo-2,7,13,17-tetramethyl-3-[(E)-ethylidene]-18-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid

(2R)-1,19-ジオキソ-2,7,13,17-テトラメチル-3-[(E)-エチリデン]-18-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,2,3,19,22,24-ヘキサヒドロ-21H-ビリン-8,12-ジプロパン酸
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： C39H37F3N6O6
Molecular formula furigana： C39-H37-F3-N6-O6
Molecular weight： 742.756
InChI： InChI=1S/C39H37F3N6O6/c1-6-24-20(4)36(53)46-30(24)16-28-19(3)26(12-14-34(51)52)32(44-28)17-31-25(11-13-33(49)50)18(2)27(43-31)15-29-21(5)35(37(54)45-29)22-7-9-23(10-8-22)38(47-48-38)39(40,41)42/h6-10,15-17,20,44H,11-14H2,1-5H3,(H,45,54)(H,46,53)(H,49,50)(H,51,52)/b24-6+,29-15?,30-16?,31-17?/t20-/m1/s1
InChI key： NBJKWVMMRBHFKL-NNMMGTFOSA-N
SMILES： C/C=C/1\[C@@H](C)C(=O)NC1=Cc1[nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)c3ccc(cc3)C3(N=N3)C(F)(F)F)C(=C2CCC(=O)O)C)c(CCC(=O)O)c1C
Systematic name  (3)：
  • (2R)-1,19-ジオキソ-2,7,13,17-テトラメチル-3-[(E)-エチリデン]-18-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,2,3,19,22,24-ヘキサヒドロ-21H-ビリン-8,12-ジプロパン酸
  • 3-(2-{[3-(2-カルボキシエチル)-4-メチル-5-[(3-メチル-5-オキソ-4-{4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-2H-ピロール-2-イリデン]メチル}-5-{[(3E,4R)-3-エチリデン-4-メチル-5-オキソピロリジン-2-イリデン]メチル}-4-メチル-1H-ピロール-3-イル)プロパン酸
  • 3-(2-{[3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene]methyl}-5-{[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (1)：
  • (2R)-1,19-Dioxo-2,7,13,17-tetramethyl-3-[(E)-ethylidene]-18-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid
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