Chem
J-GLOBAL ID：200907037128784978   Nikkaji number：J1.949.323G

L-Ser-L-Val-L-Leu-L-Glu-L-Ile-L-Phe-L-Val-L-Ser-OH

L-Ser-L-Val-L-Leu-L-Glu-L-Ile-L-Phe-L-Val-L-Ser-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： C42H68N8O13
Molecular formula furigana： C42-H68-N8-O13
Molecular weight： 893.049
InChI： InChI=1S/C42H68N8O13/c1-9-24(8)34(41(61)46-29(18-25-13-11-10-12-14-25)38(58)49-33(23(6)7)40(60)47-30(20-52)42(62)63)50-36(56)27(15-16-31(53)54)44-37(57)28(17-21(2)3)45-39(59)32(22(4)5)48-35(55)26(43)19-51/h10-14,21-24,26-30,32-34,51-52H,9,15-20,43H2,1-8H3,(H,44,57)(H,45,59)(H,46,61)(H,47,60)(H,48,55)(H,49,58)(H,50,56)(H,53,54)(H,62,63)/t24-,26-,27-,28-,29-,30-,32-,33-,34-/m0/s1
InChI key： YEEAPIZLWKUFSJ-KVROCZHMSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O
Systematic name  (3)：
  • L-Ser-L-Val-L-Leu-L-Glu-L-Ile-L-Phe-L-Val-L-Ser-OH
  • (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-メチルブタンアミド]-4-メチルペンタンアミド]-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルボキシ-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}-2-フェニルエチル]カルバモイル}-2-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-4-methylpentanamido]-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
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