Chem
J-GLOBAL ID：200907058002086725   Nikkaji number：J2.432.009J

Adouetine X

アドウエチンX
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： C28H44N4O4
Molecular formula furigana： C28-H44-N4-O4
Molecular weight： 500.684
InChI： InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/t19?,22-,23?,24-,25+/m0/s1
InChI key： OMVRKRVDDRUXPW-HEPDMQGZSA-N
SMILES： CCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C)[C@H](Oc2ccc(cc2)C=CNC1=O)C(C)C
Systematic name  (3)：
  • (S)-α-ジメチルアミノ-N-[(3R,4S,7S)-3-イソプロピル-5,8-ジオキソ-7-(1-メチルプロピル)-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-10,12,14(1),15-テトラエン-4-イル]-4-メチルペンタンアミド
  • (2S)-N-[(3R,4S,7S)-7-(ブタン-2-イル)-5,8-ジオキソ-3-(プロパン-2-イル)-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),10,12,15-テトラエン-4-イル]-2-(ジメチルアミノ)-4-メチルペンタンアミド
  • (2S)-N-[(3R,4S,7S)-7-(butan-2-yl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-4-methylpentanamide
Other name (3)：
  • (S)-α-Dimethylamino-N-[(3R,4S,7S)-3-isopropyl-5,8-dioxo-7-(1-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14(1),15-tetraene-4-yl]-4-methylpentanamide
  • アドウエチンX
  • Adouetine X
KEGG COMPOUND： C09993
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM