Chem
J-GLOBAL ID：200907068455891497
Nikkaji number：J1.106.170B
Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-OBzl
Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-OBzl
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
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
Molecular formula： C63H104N16O17
Molecular formula furigana： C63-H104-N16-O17
Molecular weight： 1357.620
InChI：
InChI=1S/C63H104N16O17/c1-31(64)40(80)72-56(9,10)48(88)65-32(2)41(81)73-57(11,12)49(89)66-33(3)42(82)74-58(13,14)50(90)67-34(4)43(83)75-59(15,16)51(91)68-35(5)44(84)76-60(17,18)52(92)69-36(6)45(85)77-61(19,20)53(93)70-37(7)46(86)78-62(21,22)54(94)71-38(8)47(87)79-63(23,24)55(95)96-30-39-28-26-25-27-29-39/h25-29,31-38H,30,64H2,1-24H3,(H,65,88)(H,66,89)(H,67,90)(H,68,91)(H,69,92)(H,70,93)(H,71,94)(H,72,80)(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChI key：
PEHRUXJSYHJYGE-QSVFAHTRSA-N
SMILES：
C[C@H](N)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)OCc1ccccc1
Systematic name (4)：
- Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-OBzl
- L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-L-Ala-Aib-OBzl
- ベンジル 2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-アミノプロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-2-メチルプロパノアート
- benzyl 2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-aminopropanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}propanamido]-2-methylpropanoate
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