Chem
J-GLOBAL ID：202007001877426534
Nikkaji number：J3.749.702I
(S)-N-メチル-N-ベンズヒドリル-2-[[2-[[3,5-ビス(トリフルオロメチル)フェニル]アミノ]-3,4-ジオキソ-1-シクロブテニル]アミノ]-3,3-ジメチルブタンアミド
(S)-N-メチル-N-ベンズヒドリル-2-[[2-[[3,5-ビス(トリフルオロメチル)フェニル]アミノ]-3,4-ジオキソ-1-シクロブテニル]アミノ]-3,3-ジメチルブタンアミド
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： C32H29F6N3O3
Molecular formula furigana： C32-H29-F6-N3-O3
Molecular weight： 617.592
InChI：
InChI=1S/C32H29F6N3O3/c1-30(2,3)28(29(44)41(4)25(18-11-7-5-8-12-18)19-13-9-6-10-14-19)40-24-23(26(42)27(24)43)39-22-16-20(31(33,34)35)15-21(17-22)32(36,37)38/h5-17,25,28,39-40H,1-4H3/t28-/m1/s1
InChI key：
DTNXWCQDBRJQGI-MUUNZHRXSA-N
SMILES：
C(=O)([C@H](C(C)(C)C)NC1=C(C(=O)C1=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C(c1ccccc1)c1ccccc1)C
Systematic name (3)：
- (S)-N-メチル-N-ベンズヒドリル-2-[[2-[[3,5-ビス(トリフルオロメチル)フェニル]アミノ]-3,4-ジオキソ-1-シクロブテニル]アミノ]-3,3-ジメチルブタンアミド
- (2S)-2-[(2-{[3,5-ビス(トリフルオロメチル)フェニル]アミノ}-3,4-ジオキソシクロブタ-1-エン-1-イル)アミノ]-N-(ジフェニルメチル)-N,3,3-トリメチルブタンアミド
- (2S)-2-[(2-{[3,5-bis(trifluoromethyl)phenyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-N-(diphenylmethyl)-N,3,3-trimethylbutanamide
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