Chem
J-GLOBAL ID：200907012962800074   Nikkaji number：J246.142K

BUBU

BUBU
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： C41H62N6O10
Molecular formula furigana： C41-H62-N6-O10
Molecular weight： 798.979
InChI： InChI=1S/C41H62N6O10/c1-24(2)19-30(38(53)47-34(39(54)55)25(3)57-41(7,8)9)45-37(52)31(21-26-13-11-10-12-14-26)44-33(49)22-43-36(51)32(23-56-40(4,5)6)46-35(50)29(42)20-27-15-17-28(48)18-16-27/h10-18,24-25,29-32,34,48H,19-23,42H2,1-9H3,(H,43,51)(H,44,49)(H,45,52)(H,46,50)(H,47,53)(H,54,55)/t25-,29+,30+,31+,32-,34+/m1/s1
InChI key： NLAVVHBUSPGVFG-GQAKXHIGSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O
Systematic name  (3)：
  • L-Tyr-O-tert-ブチル-D-Ser-Gly-L-Phe-L-Leu-O-tert-ブチル-L-Thr-OH
  • (2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-3-(tert-ブトキシ)プロパンアミド]アセトアミド}-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-3-(tert-ブトキシ)ブタン酸
  • (2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(tert-butoxy)propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanamido]-3-(tert-butoxy)butanoic acid
Other name (2)：
  • BUBU
  • L-Tyr-O-tert-Butyl-D-Ser-Gly-L-Phe-L-Leu-O-tert-butyl-L-Thr-OH
CAS registry number： 114414-60-7
Application (1)：
narcotic analgesic
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