Chem
J-GLOBAL ID:200907030269972005
Nikkaji number:J1.523.123H
ATL-146e
ATL-146e
Download MOL file
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:
C23 H30 N6 O6
Molecular formula furigana:
C23-H30-N6-O6
Molecular weight:
486.529
InChI:
InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
InChI key:
FLEVIENZILQUKB-XTWQNQIISA-N
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC
Systematic name (3):
4β-[3-[6-アミノ-9-[(2R)-3α,4α-ジヒドロキシ-5β-(エチルカルバモイル)テトラヒドロフラン-2β-イル]-9H-プリン-2-イル]-2-プロピニル]シクロヘキサン-1α-カルボン酸メチル
メチル (1r,4r)-4-(3-{6-アミノ-9-[(2R,3R,4S,5S)-5-(エチルカルバモイル)-3,4-ジヒドロキシオキソラン-2-イル]-9H-プリン-2-イル}プロパ-2-イン-1-イル)シクロヘキサン-1-カルボキシラート
methyl (1r,4r)-4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}prop-2-yn-1-yl)cyclohexane-1-carboxylate
Other name (2):
4β-[3-[6-Amino-9-[(2R)-3α,4α-dihydroxy-5β-(ethylcarbamoyl)tetrahydrofuran-2β-yl]-9H-purine-2-yl]-2-propynyl]cyclohexane-1α-carboxylic acid methyl ester
ATL-146e
Thsaurus map:
Return to Previous Page