Chem
J-GLOBAL ID:200907067476089570
Nikkaji number:J1.770.731K
1-Butyl-3-[(2R)-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]urea
1-ブチル-3-[(2R)-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]尿素
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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:
C24 H44 N6 O7 S
Molecular formula furigana:
C24-H44-N6-O7-S
Molecular weight:
560.710
InChI:
InChI=1S/C24H44N6O7S/c1-2-3-8-27-23(34)28-15-18(31)22(33)26-10-12-37-14-13-36-11-9-25-20(32)7-5-4-6-19-21-17(16-38-19)29-24(35)30-21/h17-19,21,31H,2-16H2,1H3,(H,25,32)(H,26,33)(H2,27,28,34)(H2,29,30,35)/t17-,18+,19-,21-/m0/s1
InChI key:
KHEAVQCINLJOBW-JTJHWIPRSA-N
SMILES:
CCCCNC(=O)NC[C@@H](O)C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Systematic name (3):
1-ブチル-3-[(2R)-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]尿素
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]-N-[2-(2-{2-[(2R)-3-[(ブチルカルバモイル)アミノ]-2-ヒドロキシプロパンアミド]エトキシ}エトキシ)エチル]ペンタンアミド
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2-{2-[(2R)-3-[(butylcarbamoyl)amino]-2-hydroxypropanamido]ethoxy}ethoxy)ethyl]pentanamide
Other name (1):
1-Butyl-3-[(2R)-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]urea
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