Chem
J-GLOBAL ID：200907099308937182   Nikkaji number：J1.193.702K

N-[(R)-2-[(2S,14S)-12,15-Dioxo-14-(2-amino-2-oxoethyl)-4,7-etheno-1,13-diaza-8-oxacyclopentadeca-4,6-diene-2-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide

2-[(8S,11S)-11-[(1R)-1-ヒドロキシ-2-[N-(3-メチルブチル)ベンゼンスルホンアミド]エチル]-6,9-ジオキソ-2-オキサ-7,10-ジアザビシクロ[11.2.2]ヘプタデカ-1(15),13,16-トリエン-8-イル]アセトアミド
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： C29H40N4O7S
Molecular formula furigana： C29-H40-N4-O7-S
Molecular weight： 588.720
InChI： InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1
InChI key： HOUHLOFMBSYNBO-KKUQBAQOSA-N
SMILES： CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(=O)N)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
Systematic name  (3)：
  • N-[(R)-2-[(2S,14S)-12,15-ジオキソ-14-(2-アミノ-2-オキソエチル)-4,7-エテノ-1,13-ジアザ-8-オキサシクロペンタデカ-4,6-ジエン-2-イル]-2-ヒドロキシエチル]-N-(3-メチルブチル)ベンゼンスルホンアミド
  • 2-[(8S,11S)-11-[(1R)-1-ヒドロキシ-2-[N-(3-メチルブチル)ベンゼンスルホンアミド]エチル]-6,9-ジオキソ-2-オキサ-7,10-ジアザビシクロ[11.2.2]ヘプタデカ-1(15),13,16-トリエン-8-イル]アセトアミド
  • 2-[(8S,11S)-11-[(1R)-1-hydroxy-2-[N-(3-methylbutyl)benzenesulfonamido]ethyl]-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide
Other name (1)：
  • N-[(R)-2-[(2S,14S)-12,15-Dioxo-14-(2-amino-2-oxoethyl)-4,7-etheno-1,13-diaza-8-oxacyclopentadeca-4,6-diene-2-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide
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