Chem
J-GLOBAL ID:202007013516937648
Nikkaji number:J3.749.703G
(S)-N-メチル-N-ベンズヒドリル-2-[メチル[2-[メチル[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-[メチル[2-[メチル[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
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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:
C34 H33 F6 N3 O3
Molecular formula furigana:
C34-H33-F6-N3-O3
Molecular weight:
645.646
InChI:
InChI=1S/C34H33F6N3O3/c1-32(2,3)30(31(46)43(6)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21)42(5)27-26(28(44)29(27)45)41(4)24-18-22(33(35,36)37)17-23(19-24)34(38,39)40/h7-19,25,30H,1-6H3/t30-/m1/s1
InChI key:
WDUVBMHIYUNDFF-SSEXGKCCSA-N
SMILES:
C(=O)([C@H](C(C)(C)C)N(C1=C(C(=O)C1=O)N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N(C(c1ccccc1)c1ccccc1)C
Systematic name (3):
(S)-N-メチル-N-ベンズヒドリル-2-[メチル[2-[メチル[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](メチル)アミノ}-3,4-ジオキソシクロブタ-1-エン-1-イル)(メチル)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](methyl)amino}-3,4-dioxocyclobut-1-en-1-yl)(methyl)amino]-N-(diphenylmethyl)-N,3,3-trimethylbutanamide
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