Chem
J-GLOBAL ID：201407058322568701   Nikkaji number：J3.223.615D

3-[[(4aR)-5-Oxo-6-benzyl-1,2,3,4,4aα,5,6,12cα-octahydrobenzo[a]phenanthridine-10-yl]carbonylamino]propionic acid

3-[[(4aR)-5-オキソ-6-ベンジル-1,2,3,4,4aα,5,6,12cα-オクタヒドロベンゾ[a]フェナントリジン-10-イル]カルボニルアミノ]プロピオン酸
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： C28H28N2O4
Molecular formula furigana： C28-H28-N2-O4
Molecular weight： 456.542
InChI： InChI=1S/C28H28N2O4/c31-25(32)14-15-29-27(33)20-10-12-21-19(16-20)11-13-24-26(21)22-8-4-5-9-23(22)28(34)30(24)17-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,22-23H,4-5,8-9,14-15,17H2,(H,29,33)(H,31,32)/t22-,23+/m0/s1
InChI key： QSZXEVGYXXTQQB-XZOQPEGZSA-N
SMILES： OC(=O)CCNC(=O)c1ccc2c3[C@H]4CCCC[C@H]4C(=O)N(Cc4ccccc4)c3ccc2c1
Systematic name  (3)：
  • 3-[[(4aR)-5-オキソ-6-ベンジル-1,2,3,4,4aα,5,6,12cα-オクタヒドロベンゾ[a]フェナントリジン-10-イル]カルボニルアミノ]プロピオン酸
  • 3-{[(4aR,12cS)-6-ベンジル-5-オキソ-1H,2H,3H,4H,4aH,5H,6H,12cH-ベンゾ[a]フェナントリジン-10-イル]ホルムアミド}プロパン酸
  • 3-{[(4aR,12cS)-6-benzyl-5-oxo-1H,2H,3H,4H,4aH,5H,6H,12cH-benzo[a]phenanthridin-10-yl]formamido}propanoic acid
Other name (1)：
  • 3-[[(4aR)-5-Oxo-6-benzyl-1,2,3,4,4aα,5,6,12cα-octahydrobenzo[a]phenanthridine-10-yl]carbonylamino]propionic acid
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