Chem
J-GLOBAL ID：200907049041034709   Nikkaji number：J2.313.142K

Glu-Glu-Gln-Phe-Asn-Ser-Thr-Phe-Arg-OH

Glu-Glu-Gln-Phe-Asn-Ser-Thr-Phe-Arg-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： C50H72N14O18
Molecular formula furigana： C50-H72-N14-O18
Molecular weight： 1157.206
InChI： InChI=1S/C50H72N14O18/c1-25(66)40(48(80)62-33(22-27-11-6-3-7-12-27)44(76)59-31(49(81)82)13-8-20-56-50(54)55)64-47(79)35(24-65)63-46(78)34(23-37(53)68)61-45(77)32(21-26-9-4-2-5-10-26)60-43(75)29(15-17-36(52)67)58-42(74)30(16-19-39(71)72)57-41(73)28(51)14-18-38(69)70/h2-7,9-12,25,28-35,40,65-66H,8,13-24,51H2,1H3,(H2,52,67)(H2,53,68)(H,57,73)(H,58,74)(H,59,76)(H,60,75)(H,61,77)(H,62,80)(H,63,78)(H,64,79)(H,69,70)(H,71,72)(H,81,82)(H4,54,55,56)/t25-,28+,29+,30+,31+,32+,33+,34+,35+,40+/m1/s1
InChI key： UQIPRZHPEZPZQE-SAHNEZIUSA-N
SMILES： C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3)：
  • Glu-Glu-Gln-Phe-Asn-Ser-Thr-Phe-Arg-OH
  • (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-カルボキシブタンアミド]-4-カルボキシブタンアミド]-4-カルバモイルブタンアミド]-3-フェニルプロパンアミド]-3-カルバモイルプロパンアミド]-3-ヒドロキシプロパンアミド]-3-ヒドロキシブタンアミド]-3-フェニルプロパンアミド]-5-カルバムイミドアミドペンタン酸
  • (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
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