Chem
J-GLOBAL ID:200907023993109444
Nikkaji number:J1.770.723J
[(2S)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]carbamoyl]-2-hydroxyethyl]carbamic acid 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzyl ester
[(2S)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-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]ペンタノイルアミノ]エトキシ]エトキシ]エチル]カルバモイル]-2-ヒドロキシエチル]カルバミド酸2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンジル
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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:
C30 H42 F3 N7 O9 S
Molecular formula furigana:
C30-H42-F3-N7-O9-S
Molecular weight:
733.760
InChI:
InChI=1S/C30H42F3N7O9S/c1-46-22-14-19(29(39-40-29)30(31,32)33)7-6-18(22)16-49-28(45)36-15-21(41)26(43)35-9-11-48-13-12-47-10-8-34-24(42)5-3-2-4-23-25-20(17-50-23)37-27(44)38-25/h6-7,14,20-21,23,25,41H,2-5,8-13,15-17H2,1H3,(H,34,42)(H,35,43)(H,36,45)(H2,37,38,44)/t20-,21-,23-,25-/m0/s1
InChI key:
ULCGBKPIGMWKBP-PBXDDXTRSA-N
SMILES:
COc1cc(ccc1COC(=O)NC[C@H](O)C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C1(N=N1)C(F)(F)F
Systematic name (3):
[(2S)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-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]ペンタノイルアミノ]エトキシ]エトキシ]エチル]カルバモイル]-2-ヒドロキシエチル]カルバミド酸2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンジル
{2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}メチル N-[(2S)-2-({2-[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)エトキシ]エチル}カルバモイル)-2-ヒドロキシエチル]カルバマート
{2-methoxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methyl N-[(2S)-2-({2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethyl}carbamoyl)-2-hydroxyethyl]carbamate
Other name (1):
[(2S)-2-[[2-[2-[2-[5-[[(3aβ,4S,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]carbamoyl]-2-hydroxyethyl]carbamic acid 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzyl ester
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