Chem
J-GLOBAL ID:200907016782439360   Nikkaji number:J2.453.034E

(5′S)-2′-O,3′-O-Isopropylidene-3-(4-methoxybenzyl)-5′-C-[(S)-[[2-[(2-methylbenzyl)(2,4,6-trimethylbenzyl)amino]-1-phenylpropoxy]carbonyl]azidomethyl]uridine

(5′S)-2′-O,3′-O-イソプロピリデン-3-(4-メトキシベンジル)-5′-C-[(S)-[[2-[(2-メチルベンジル)(2,4,6-トリメチルベンジル)アミノ]-1-フェニルプロポキシ]カルボニル]アジドメチル]ウリジン
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: C49H56N4[N-][N+]O9
Molecular formula furigana: C49-H56-N6-O9
Molecular weight: 873.020
InChI: InChI=1S/C49H56N6O9/c1-29-24-31(3)38(32(4)25-29)28-53(27-36-17-13-12-14-30(36)2)33(5)42(35-15-10-9-11-16-35)62-47(58)40(51-52-50)41(57)43-44-45(64-49(6,7)63-44)46(61-43)54-23-22-39(56)55(48(54)59)26-34-18-20-37(60-8)21-19-34/h9-25,33,40-46,57H,26-28H2,1-8H3/t33?,40-,41-,42?,43+,44+,45+,46+/m0/s1
InChI key: GUNQNSSOSQRHFO-XMBSVVOXSA-N
SMILES: COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@@H](O)[C@H](N=[N+]=[N-])C(=O)OC(C(C)N(Cc4ccccc4C)Cc4c(C)cc(C)cc4C)c4ccccc4)[C@H]4OC(C)(C)O[C@@H]34)c2=O)cc1
Systematic name  (3):
  • (5′S)-2′-O,3′-O-イソプロピリデン-3-(4-メトキシベンジル)-5′-C-[(S)-[[2-[(2-メチルベンジル)(2,4,6-トリメチルベンジル)アミノ]-1-フェニルプロポキシ]カルボニル]アジドメチル]ウリジン
  • 2-{[(2-メチルフェニル)メチル][(2,4,6-トリメチルフェニル)メチル]アミノ}-1-フェニルプロピル (2S,3S)-3-[(3aR,4R,6R,6aR)-6-{3-[(4-メトキシフェニル)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}-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]-2-アジド-3-ヒドロキシプロパノアート
  • 2-{[(2-methylphenyl)methyl][(2,4,6-trimethylphenyl)methyl]amino}-1-phenylpropyl (2S,3S)-3-[(3aR,4R,6R,6aR)-6-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2-azido-3-hydroxypropanoate
Other name (1):
  • (5′S)-2′-O,3′-O-Isopropylidene-3-(4-methoxybenzyl)-5′-C-[(S)-[[2-[(2-methylbenzyl)(2,4,6-trimethylbenzyl)amino]-1-phenylpropoxy]carbonyl]azidomethyl]uridine
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