Chem
J-GLOBAL ID：200907065552834563
Nikkaji number：J1.793.884C
2-[2-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoylamino]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]-L-phenylalanine
2-[2-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイルアミノ]エトキシ]-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]-L-フェニルアラニン
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： C23H29F3N6O5S
Molecular formula furigana： C23-H29-F3-N6-O5-S
Molecular weight： 558.580
InChI：
InChI=1S/C23H29F3N6O5S/c24-23(25,26)22(31-32-22)13-6-5-12(9-14(27)20(34)35)16(10-13)37-8-7-28-18(33)4-2-1-3-17-19-15(11-38-17)29-21(36)30-19/h5-6,10,14-15,17,19H,1-4,7-9,11,27H2,(H,28,33)(H,34,35)(H2,29,30,36)/t14-,15-,17-,19-/m0/s1
InChI key：
GDFCTYNZXDOZLU-MRHSLFKSSA-N
SMILES：
N[C@@H](Cc1ccc(cc1OCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C1(N=N1)C(F)(F)F)C(=O)O
Systematic name (3)：
- 2-[2-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイルアミノ]エトキシ]-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]-L-フェニルアラニン
- (2S)-3-[2-(2-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}エトキシ)-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-アミノプロパン酸
- (2S)-3-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]-2-aminopropanoic acid
- 2-[2-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoylamino]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]-L-phenylalanine
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