Chem
J-GLOBAL ID:201107037316782778   Nikkaji number:J2.930.337A

N-(tert-Butoxycarbonyl)-3-(4,8-dioxo-6-methyl-1,3-dioxa-2-bora-6-azacyclooctane-2-yl)-D-phenylalanine benzyl ester

N-(tert-ブトキシカルボニル)-3-(4,8-ジオキソ-6-メチル-1,3-ジオキサ-2-ボラ-6-アザシクロオクタン-2-イル)-D-フェニルアラニンベンジル
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: C26H31BN2O8
Molecular formula furigana: C26-H31-B-N2-O8
Molecular weight: 510.350
InChI: InChI=1S/C26H31BN2O8/c1-26(2,3)35-25(33)28-21(24(32)34-17-18-9-6-5-7-10-18)14-19-11-8-12-20(13-19)27-36-22(30)15-29(4)16-23(31)37-27/h5-13,21H,14-17H2,1-4H3,(H,28,33)/t21-/m1/s1
InChI key: BUBMUGQALYZASY-OAQYLSRUSA-N
SMILES: CN1CC(=O)OB(OC(=O)C1)c1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1
Systematic name  (3):
  • N-(tert-ブトキシカルボニル)-3-(4,8-ジオキソ-6-メチル-1,3-ジオキサ-2-ボラ-6-アザシクロオクタン-2-イル)-D-フェニルアラニンベンジル
  • ベンジル (2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-[3-(6-メチル-4,8-ジオキソ-1,3,6,2-ジオキサザボロカン-2-イル)フェニル]プロパノアート
  • benzyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]propanoate
Other name (1):
  • N-(tert-Butoxycarbonyl)-3-(4,8-dioxo-6-methyl-1,3-dioxa-2-bora-6-azacyclooctane-2-yl)-D-phenylalanine benzyl ester
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