Chem
J-GLOBAL ID：200907063175537203   Nikkaji number：J717.099H

(2S)-N-tert-Butyl-1-[(R)-2-[[(8S,11S)-6,9-dioxo-8-(carbamoylmethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien]-11-yl]-2-hydroxyethyl]piperidine-2-carboxamide

(2S)-N-tert-ブチル-1-[(2R)-2-[(8S,11S)-8-(カルバモイルメチル)-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-11-イル]-2-ヒドロキシエチル]ピペリジン-2-カルボキサミド
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： C28H43N5O6
Molecular formula furigana： C28-H43-N5-O6
Molecular weight： 545.681
InChI： InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1
InChI key： GHEDXAXQQMZPLE-CWBXHPNXSA-N
SMILES： CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(=O)N)C(=O)N1)cc2
Systematic name  (3)：
  • (2S)-N-tert-ブチル-1-[(R)-2-[[(8S,11S)-6,9-ジオキソ-8-(カルバモイルメチル)-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]-11-イル]-2-ヒドロキシエチル]ピペリジン-2-カルボアミド
  • (2S)-N-tert-ブチル-1-[(2R)-2-[(8S,11S)-8-(カルバモイルメチル)-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-11-イル]-2-ヒドロキシエチル]ピペリジン-2-カルボキサミド
  • (2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-8-(carbamoylmethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl]piperidine-2-carboxamide
Other name (1)：
  • (2S)-N-tert-Butyl-1-[(R)-2-[[(8S,11S)-6,9-dioxo-8-(carbamoylmethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien]-11-yl]-2-hydroxyethyl]piperidine-2-carboxamide
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