Chem
J-GLOBAL ID：200907022994416166
Nikkaji number：J2.188.252F
Leu-Val-Asp-Lys-Phe-Leu-Glu-Asp-Val-Lys-Lys-OH
Leu-Val-Asp-Lys-Phe-Leu-Glu-Asp-Val-Lys-Lys-OH
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： C62H104N14O18
Molecular formula furigana： C62-H104-N14-O18
Molecular weight： 1333.594
InChI：
InChI=1S/C62H104N14O18/c1-33(2)28-38(66)52(83)75-50(35(5)6)61(92)74-45(31-48(79)80)58(89)67-39(20-12-15-25-63)54(85)72-44(30-37-18-10-9-11-19-37)57(88)71-43(29-34(3)4)56(87)68-41(23-24-47(77)78)55(86)73-46(32-49(81)82)59(90)76-51(36(7)8)60(91)69-40(21-13-16-26-64)53(84)70-42(62(93)94)22-14-17-27-65/h9-11,18-19,33-36,38-46,50-51H,12-17,20-32,63-66H2,1-8H3,(H,67,89)(H,68,87)(H,69,91)(H,70,84)(H,71,88)(H,72,85)(H,73,86)(H,74,92)(H,75,83)(H,76,90)(H,77,78)(H,79,80)(H,81,82)(H,93,94)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1
InChI key：
XWFSFOUNYXIXJE-RQYFUDPWSA-N
SMILES：
CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- Leu-Val-Asp-Lys-Phe-Leu-Glu-Asp-Val-Lys-Lys-OH
- (2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]-3-メチルブタンアミド]-3-カルボキシプロパンアミド]ヘキサンアミド]-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-4-カルボキシブタンアミド]-3-カルボキシプロパンアミド]-3-メチルブタンアミド]ヘキサンアミド]ヘキサン酸
- (2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]-3-carboxypropanamido]hexanamido]-3-phenylpropanamido]-4-methylpentanamido]-4-carboxybutanamido]-3-carboxypropanamido]-3-methylbutanamido]hexanamido]hexanoic acid
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