Chem
J-GLOBAL ID：200907038905658473
Nikkaji number：J1.949.319I
L-Ser-L-Gln-Gly-L-Ser-Gly-L-Leu-L-Glu-L-Gln-L-Ser-L-Ser-L-Phe-OH
L-Ser-L-Gln-Gly-L-Ser-Gly-L-Leu-L-Glu-L-Gln-L-Ser-L-Ser-L-Phe-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： C46H71N13O20
Molecular formula furigana： C46-H71-N13-O20
Molecular weight： 1126.145
InChI：
InChI=1S/C46H71N13O20/c1-22(2)14-28(52-35(66)16-51-40(72)30(19-61)53-36(67)17-50-39(71)25(8-11-33(48)64)54-38(70)24(47)18-60)43(75)56-27(10-13-37(68)69)41(73)55-26(9-12-34(49)65)42(74)58-32(21-63)45(77)59-31(20-62)44(76)57-29(46(78)79)15-23-6-4-3-5-7-23/h3-7,22,24-32,60-63H,8-21,47H2,1-2H3,(H2,48,64)(H2,49,65)(H,50,71)(H,51,72)(H,52,66)(H,53,67)(H,54,70)(H,55,73)(H,56,75)(H,57,76)(H,58,74)(H,59,77)(H,68,69)(H,78,79)/t24-,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
InChI key：
ZMIGTVDTFUVGBH-MQAKNACASA-N
SMILES：
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name (3)：
- L-Ser-L-Gln-Gly-L-Ser-Gly-L-Leu-L-Glu-L-Gln-L-Ser-L-Ser-L-Phe-OH
- (4S)-4-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]アセトアミド}-3-ヒドロキシプロパンアミド]アセトアミド}-4-メチルペンタンアミド]-4-{[(1S)-3-カルバモイル-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}プロピル]カルバモイル}ブタン酸
- (4S)-4-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]acetamido}-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid
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