Chem
J-GLOBAL ID:200907051069071280   Nikkaji number:J1.372.321D

N-Cyclopropyl-Nα-[hydroxy(3′-azido-3′-deoxy-5′-thymidyloxy)phosphinyl]tryptophanamide

N-シクロプロピル-Nα-[ヒドロキシ(3′-アジド-3′-デオキシ-5′-チミジルオキシ)ホスフィニル]トリプトファンアミド
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: C24H29N6[N-][N+]O7P
Molecular formula furigana: C24-H29-N8-O7-P
Molecular weight: 572.519
InChI: InChI=1S/C24H29N8O7P/c1-13-11-32(24(35)28-22(13)33)21-9-18(29-31-25)20(39-21)12-38-40(36,37)30-19(23(34)27-15-6-7-15)8-14-10-26-17-5-3-2-4-16(14)17/h2-5,10-11,15,18-21,26H,6-9,12H2,1H3,(H,27,34)(H,28,33,35)(H2,30,36,37)/t18-,19-,20+,21+/m0/s1
InChI key: ZQZCGWRJQBRNQK-UWHLTILDSA-N
SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NC3CC3)O2)c(=O)[nH]c1=O
Systematic name  (3):
  • N-シクロプロピル-Nα-[ヒドロキシ(3′-アジド-3′-デオキシ-5′-チミジルオキシ)ホスフィニル]トリプトファンアミド
  • {[(2S,3S,5R)-3-アジド-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メトキシ}({[(1S)-1-(シクロプロピルカルバモイル)-2-(1H-インドール-3-イル)エチル]アミノ})ホスフィン酸
  • {[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(1S)-1-(cyclopropylcarbamoyl)-2-(1H-indol-3-yl)ethyl]amino})phosphinic acid
Other name (1):
  • N-Cyclopropyl-Nα-[hydroxy(3′-azido-3′-deoxy-5′-thymidyloxy)phosphinyl]tryptophanamide
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