Chem
J-GLOBAL ID：200907097087693442   Nikkaji number：J389.545I

A-70874

A-70874
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： C35H38N4O6
Molecular formula furigana： C35-H38-N4-O6
Molecular weight： 610.711
InChI： InChI=1S/C35H38N4O6/c1-35(2,3)45-34(44)38-29(20-25-22-37-28-12-8-7-11-27(25)28)33(43)39(32(42)18-15-23-13-16-26(40)17-14-23)30(31(41)21-36)19-24-9-5-4-6-10-24/h4-18,22,29-30,37,40H,19-21,36H2,1-3H3,(H,38,44)/t29-,30-/m0/s1
InChI key： IZMMXFSUYOOJIM-KYJUHHDHSA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N([C@@H](Cc1ccccc1)C(=O)CN)C(=O)C=Cc1ccc(O)cc1
Systematic name  (3)：
  • Nα-(tert-ブチルオキシカルボニル)-L-Trp-N-[2-(4-ヒドロキシフェニル)エテニルカルボニル]-L-Phe-メチルNH2
  • tert-ブチル N-[(2S)-1-{N-[(2S)-4-アミノ-3-オキソ-1-フェニルブタン-2-イル]-3-(4-ヒドロキシフェニル)プロパ-2-エンアミド}-3-(1H-インドール-3-イル)-1-オキソプロパン-2-イル]カルバマート
  • tert-butyl N-[(2S)-1-{N-[(2S)-4-amino-3-oxo-1-phenylbutan-2-yl]-3-(4-hydroxyphenyl)prop-2-enamido}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Other name (2)：
  • A-70874
  • Nα-(tert-Butyloxycarbonyl)-L-Trp-N-[2-(4-hydroxyphenyl)ethenylcarbonyl]-L-Phe-methyl NH2
Thsaurus map：
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