Chem
J-GLOBAL ID:200907002241885804   Nikkaji number:J599.540J

N-(4-Bromobenzoyl)-D-Iva-L-Iva-D-Iva-L-Iva-OBut

N-(4-ブロモベンゾイル)-D-Iva-L-Iva-D-Iva-L-Iva-OBut
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: C31H49BrN4O6
Molecular formula furigana: C31-H49-BR-N4-O6
Molecular weight: 653.659
InChI: InChI=1S/C31H49BrN4O6/c1-12-28(8,33-22(37)20-16-18-21(32)19-17-20)23(38)34-29(9,13-2)24(39)35-30(10,14-3)25(40)36-31(11,15-4)26(41)42-27(5,6)7/h16-19H,12-15H2,1-11H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/t28-,29+,30-,31+/m1/s1
InChI key: PSPDPJACOXXNPE-ITGKQZKFSA-N
SMILES: CC[C@@](C)(NC(=O)c1ccc(Br)cc1)C(=O)N[C@@](C)(CC)C(=O)N[C@](C)(CC)C(=O)N[C@@](C)(CC)C(=O)OC(C)(C)C
Systematic name  (3):
  • N-(4-ブロモベンゾイル)-D-Iva-L-Iva-D-Iva-L-Iva-OBut
  • tert-ブチル (2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(4-ブロモフェニル)ホルムアミド]-2-メチルブタンアミド]-2-メチルブタンアミド]-2-メチルブタンアミド]-2-メチルブタノアート
  • tert-butyl (2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(4-bromophenyl)formamido]-2-methylbutanamido]-2-methylbutanamido]-2-methylbutanamido]-2-methylbutanoate
Other name (1):
  • N-(4-Bromobenzoyl)-D-Iva-L-Iva-D-Iva-L-Iva-OBut
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