Chem
J-GLOBAL ID：200907016935775420   Nikkaji number：J835.834F

LY-309887

LY-309887
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： C19H23N5O6S
Molecular formula furigana： C19-H23-N5-O6-S
Molecular weight： 449.480
InChI： InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1
InChI key： GQCXGHHHNACOGE-SKDRFNHKSA-N
SMILES： Nc1nc(=O)c2C[C@@H](CCc3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1
Systematic name  (3)：
  • N-[[5-[2-[[(6R)-2-アミノ-4-オキソ-1,4,5,6,7,8-ヘキサヒドロピリド[2,3-d]ピリミジン]-6-イル]エチル]-2-チエニル]カルボニル]-L-グルタミン酸
  • (2S)-2-[(5-{2-[(6R)-2-アミノ-4-オキソ-1H,4H,5H,6H,7H,8H-ピリド[2,3-d]ピリミジン-6-イル]エチル}チオフェン-2-イル)ホルムアミド]ペンタン二酸
  • (2S)-2-[(5-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)formamido]pentanedioic acid
Other name (2)：
  • LY-309887
  • N-[[5-[2-[[(6R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin]-6-yl]ethyl]-2-thienyl]carbonyl]-L-glutamic acid
CAS registry number： 127228-54-0
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