Chem
J-GLOBAL ID：200907029812714226   Nikkaji number：J924.336D

(3S)-1-[(1-Adamantyl)methyl]-3-(3-phenylureido)-5-phenyl-1,5-dihydro-2H-1,5-benzodiazepine-2,4(3H)-dione

(3S)-1-[(1-アダマンチル)メチル]-3-(3-フェニルウレイド)-5-フェニル-1,5-ジヒドロ-2H-1,5-ベンゾジアゼピン-2,4(3H)-ジオン
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： C33H34N4O3
Molecular formula furigana： C33-H34-N4-O3
Molecular weight： 534.660
InChI： InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22-,23?,24?,29-,33-/m0/s1
InChI key： RZERRLOTRSJIAW-GAQCTWMTSA-N
SMILES： O=C(N[C@H]1C(=O)N(C[C@@]23CC4C[C@@H](CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1
Systematic name  (3)：
  • (3S)-1-[(1-アダマンチル)メチル]-3-(3-フェニルウレイド)-5-フェニル-1,5-ジヒドロ-2H-1,5-ベンゾジアゼピン-2,4(3H)-ジオン
  • 3-[(3S)-2,4-ジオキソ-1-フェニル-5-{[(3r)-アダマンタン-1-イル]メチル}-2,3,4,5-テトラヒドロ-1H-1,5-ベンゾジアゼピン-3-イル]-1-フェニル尿素
  • 3-[(3S)-2,4-dioxo-1-phenyl-5-{[(3r)-adamantan-1-yl]methyl}-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-1-phenylurea
Other name (1)：
  • (3S)-1-[(1-Adamantyl)methyl]-3-(3-phenylureido)-5-phenyl-1,5-dihydro-2H-1,5-benzodiazepine-2,4(3H)-dione
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