Chem
J-GLOBAL ID:200907007433004307
Nikkaji number:J1.645.509A
N-(4-Bromobenzoyl)-Aib-Aib-Aib-Aib-Aib-Aib-Aib-Aib-OBut
N-(4-ブロモベンゾイル)-Aib-Aib-Aib-Aib-Aib-Aib-Aib-Aib-OBut
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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:
C43 H69 BrN8 O10
Molecular formula furigana:
C43-H69-BR-N8-O10
Molecular weight:
937.975
InChI:
InChI=1S/C43H69BrN8O10/c1-35(2,3)62-34(61)43(18,19)52-33(60)42(16,17)51-32(59)41(14,15)50-31(58)40(12,13)49-30(57)39(10,11)48-29(56)38(8,9)47-28(55)37(6,7)46-27(54)36(4,5)45-26(53)24-20-22-25(44)23-21-24/h20-23H,1-19H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,60)
InChI key:
MSKFHOUVZXDEPV-UHFFFAOYSA-N
SMILES:
CC(C)(C)OC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)c1ccc(Br)cc1
Systematic name (3):
N-(4-ブロモベンゾイル)-Aib-Aib-Aib-Aib-Aib-Aib-Aib-Aib-OBut
tert-ブチル 2-{2-[2-(2-{2-[2-(2-{2-[(4-ブロモフェニル)ホルムアミド]-2-メチルプロパンアミド}-2-メチルプロパンアミド)-2-メチルプロパンアミド]-2-メチルプロパンアミド}-2-メチルプロパンアミド)-2-メチルプロパンアミド]-2-メチルプロパンアミド}-2-メチルプロパノアート
tert-butyl 2-{2-[2-(2-{2-[2-(2-{2-[(4-bromophenyl)formamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}-2-methylpropanoate
Other name (1):
N-(4-Bromobenzoyl)-Aib-Aib-Aib-Aib-Aib-Aib-Aib-Aib-OBut
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