Chem
J-GLOBAL ID:200907050462622527   Nikkaji number:J1.688.416B

(βS,2R)-β-(Benzyloxycarbonylamino)-2β-[4-(benzyloxy)phenyl]-3α-[(3-azidopropyl)[4-(tert-butyldimethylsiloxy)butyl]carbamoyl]-2,3-dihydrobenzofuran-5-propionic acid pentafluorophenyl ester

(βS,2R)-β-(ベンジルオキシカルボニルアミノ)-2β-[4-(ベンジルオキシ)フェニル]-3α-[(3-アジドプロピル)[4-(tert-ブチルジメチルシロキシ)ブチル]カルバモイル]-2,3-ジヒドロベンゾフラン-5-プロピオン酸ペンタフルオロフェニル
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: C52H56F5N3[N-][N+]O8Si
Molecular formula furigana: C52-H56-F5-N5-O8-SI
Molecular weight: 1002.124
InChI: InChI=1S/C52H56F5N5O8Si/c1-52(2,3)71(4,5)68-28-13-12-26-62(27-14-25-59-61-58)50(64)42-38-29-36(21-24-40(38)69-48(42)35-19-22-37(23-20-35)66-31-33-15-8-6-9-16-33)39(60-51(65)67-32-34-17-10-7-11-18-34)30-41(63)70-49-46(56)44(54)43(53)45(55)47(49)57/h6-11,15-24,29,39,42,48H,12-14,25-28,30-32H2,1-5H3,(H,60,65)/t39-,42+,48-/m0/s1
InChI key: CKCODUDZUORLAO-VDVCXIDESA-N
SMILES: CC(C)(C)[Si](C)(C)OCCCCN(CCCN=[N+]=[N-])C(=O)[C@H]1[C@@H](Oc2ccc(cc12)[C@H](CC(=O)Oc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
Systematic name  (3):
  • (βS,2R)-β-(ベンジルオキシカルボニルアミノ)-2β-[4-(ベンジルオキシ)フェニル]-3α-[(3-アジドプロピル)[4-(tert-ブチルジメチルシロキシ)ブチル]カルバモイル]-2,3-ジヒドロベンゾフラン-5-プロピオン酸ペンタフルオロフェニル
  • 2,3,4,5,6-ペンタフルオロフェニル (3S)-3-[(2R,3R)-3-[(3-アジドプロピル)({4-[(tert-ブチルジメチルシリル)オキシ]ブチル})カルバモイル]-2-[4-(ベンジルオキシ)フェニル]-2,3-ジヒドロ-1-ベンゾフラン-5-イル]-3-{[(ベンジルオキシ)カルボニル]アミノ}プロパノアート
  • 2,3,4,5,6-pentafluorophenyl (3S)-3-[(2R,3R)-3-[(3-azidopropyl)({4-[(tert-butyldimethylsilyl)oxy]butyl})carbamoyl]-2-[4-(benzyloxy)phenyl]-2,3-dihydro-1-benzofuran-5-yl]-3-{[(benzyloxy)carbonyl]amino}propanoate
Other name (1):
  • (βS,2R)-β-(Benzyloxycarbonylamino)-2β-[4-(benzyloxy)phenyl]-3α-[(3-azidopropyl)[4-(tert-butyldimethylsiloxy)butyl]carbamoyl]-2,3-dihydrobenzofuran-5-propionic acid pentafluorophenyl ester
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