Chem
J-GLOBAL ID：200907000284888642   Nikkaji number：J867.996G

L-Asp-Gly-L-Thr-L-Val-L-Thr-L-Val-L-Lys-L-Glu-L-Leu-L-Val-L-Ser-L-Val-OH

L-Asp-Gly-L-Thr-L-Val-L-Thr-L-Val-L-Lys-L-Glu-L-Leu-L-Val-L-Ser-L-Val-OH
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： C54H95N13O20
Molecular formula furigana： C54-H95-N13-O20
Molecular weight： 1246.425
InChI： InChI=1S/C54H95N13O20/c1-23(2)19-33(47(79)63-38(24(3)4)50(82)61-34(22-68)48(80)66-41(27(9)10)54(86)87)60-46(78)32(16-17-36(72)73)58-45(77)31(15-13-14-18-55)59-49(81)39(25(5)6)64-53(85)43(29(12)70)67-51(83)40(26(7)8)65-52(84)42(28(11)69)62-35(71)21-57-44(76)30(56)20-37(74)75/h23-34,38-43,68-70H,13-22,55-56H2,1-12H3,(H,57,76)(H,58,77)(H,59,81)(H,60,78)(H,61,82)(H,62,71)(H,63,79)(H,64,85)(H,65,84)(H,66,80)(H,67,83)(H,72,73)(H,74,75)(H,86,87)/t28-,29-,30+,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+/m1/s1
InChI key： AOFSKZIRCFHRQW-RSIMFSKVSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O
Systematic name  (3)：
  • L-Asp-Gly-L-Thr-L-Val-L-Thr-L-Val-L-Lys-L-Glu-L-Leu-L-Val-L-Ser-L-Val-OH
  • (4S)-4-[(2S)-6-アミノ-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-アミノ-3-カルボキシプロパンアミド]アセトアミド}-3-ヒドロキシブタンアミド]-3-メチルブタンアミド]-3-ヒドロキシブタンアミド]-3-メチルブタンアミド]ヘキサンアミド]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルボキシ-2-メチルプロピル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-メチルプロピル]カルバモイル}-3-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-hydroxybutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-methylbutanamido]hexanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
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