Chem
J-GLOBAL ID：200907044944833770   Nikkaji number：J2.579.315C

2-(tert-Butoxycarbonylamino)-3-[4-(8-hydroxy-8,9-dihydro-1H-dibenzo[3,4:7,8]cycloocta[1,2-d]triazole-1-yl)phenyl]propionic acid

2-(tert-ブトキシカルボニルアミノ)-3-[4-(8-ヒドロキシ-8,9-ジヒドロ-1H-ジベンゾ[3,4:7,8]シクロオクタ[1,2-d]トリアゾール-1-イル)フェニル]プロピオン酸
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： C30H30N4O5
Molecular formula furigana： C30-H30-N4-O5
Molecular weight： 526.593
InChI： InChI=1S/C30H30N4O5/c1-30(2,3)39-29(38)31-24(28(36)37)16-18-12-14-20(15-13-18)34-27-21-9-5-4-8-19(21)17-25(35)22-10-6-7-11-23(22)26(27)32-33-34/h4-15,24-25,35H,16-17H2,1-3H3,(H,31,38)(H,36,37)
InChI key： CHSWXMVLLIRINK-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)NC(Cc1ccc(cc1)n1nnc2c1c1ccccc1CC(O)c1ccccc21)C(=O)O
Systematic name  (3)：
  • 2-(tert-ブトキシカルボニルアミノ)-3-[4-(8-ヒドロキシ-8,9-ジヒドロ-1H-ジベンゾ[3,4:7,8]シクロオクタ[1,2-d]トリアゾール-1-イル)フェニル]プロピオン酸
  • 2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(4-{13-ヒドロキシ-3,4,5-トリアザテトラシクロ[13.4.0.02,6.07,12]ノナデカ-1(19),2(6),4,7,9,11,15,17-オクタエン-3-イル}フェニル)プロパン酸
  • 2-{[(tert-butoxy)carbonyl]amino}-3-(4-{13-hydroxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-3-yl}phenyl)propanoic acid
Other name (1)：
  • 2-(tert-Butoxycarbonylamino)-3-[4-(8-hydroxy-8,9-dihydro-1H-dibenzo[3,4:7,8]cycloocta[1,2-d]triazole-1-yl)phenyl]propionic acid
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