Chem
J-GLOBAL ID：200907039701596041   Nikkaji number：J2.188.256I

Ser-Asp-Val-Val-Tyr-Thr-Asp-Trp-Lys-OH

Ser-Asp-Val-Val-Tyr-Thr-Asp-Trp-Lys-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： C51H73N11O17
Molecular formula furigana： C51-H73-N11-O17
Molecular weight： 1112.205
InChI： InChI=1S/C51H73N11O17/c1-24(2)40(61-49(76)41(25(3)4)60-47(74)37(21-39(68)69)56-43(70)31(53)23-63)48(75)58-34(18-27-13-15-29(65)16-14-27)46(73)62-42(26(5)64)50(77)59-36(20-38(66)67)45(72)57-35(19-28-22-54-32-11-7-6-10-30(28)32)44(71)55-33(51(78)79)12-8-9-17-52/h6-7,10-11,13-16,22,24-26,31,33-37,40-42,54,63-65H,8-9,12,17-21,23,52-53H2,1-5H3,(H,55,71)(H,56,70)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,76)(H,62,73)(H,66,67)(H,68,69)(H,78,79)/t26-,31+,33+,34+,35+,36+,37+,40+,41+,42+/m1/s1
InChI key： BIIJCHRBGRYEBF-MFGCBRTBSA-N
SMILES： CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3)：
  • Ser-Asp-Val-Val-Tyr-Thr-Asp-Trp-Lys-OH
  • (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-カルボキシプロパンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-ヒドロキシブタンアミド]-3-カルボキシプロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ヘキサン酸
  • (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
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