Chem
J-GLOBAL ID:201707002611970426
Nikkaji number:J3.616.996F
Boc-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-OMe
Boc-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-OMe
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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:
C46 H84 N8 O11
Molecular formula furigana:
C46-H84-N8-O11
Molecular weight:
925.223
InChI:
InChI=1S/C46H84N8O11/c1-25(2)21-29(33(55)52-44(14,15)38(60)49-31(23-27(5)6)35(57)54-46(18,19)40(62)64-20)47-37(59)43(12,13)51-34(56)30(22-26(3)4)48-39(61)45(16,17)53-36(58)32(24-28(7)8)50-41(63)65-42(9,10)11/h25-32H,21-24H2,1-20H3,(H,47,59)(H,48,61)(H,49,60)(H,50,63)(H,51,56)(H,52,55)(H,53,58)(H,54,57)/t29-,30-,31-,32-/m0/s1
InChI key:
MOLLJLHQEMVJKB-YDPTYEFTSA-N
SMILES:
COC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
Systematic name (3):
Boc-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-L-Leu-Aib-OMe
メチル 2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-4-メチルペンタンアミド]-2-メチルプロパンアミド}-4-メチルペンタンアミド]-2-メチルプロパンアミド}-4-メチルペンタンアミド]-2-メチルプロパンアミド}-4-メチルペンタンアミド]-2-メチルプロパノアート
methyl 2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanoate
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