Chem
J-GLOBAL ID:200907010507053500   Nikkaji number:J1.434.712G

Gly-Glu-Trp-Thr-Tyr-Asp-Asp-Ala-Thr-Lys-Thr-Phe-Thr-Val-Thr-Glu-OH

Gly-Glu-Trp-Thr-Tyr-Asp-Asp-Ala-Thr-Lys-Thr-Phe-Thr-Val-Thr-Glu-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: C83H118N18O31
Molecular formula furigana: C83-H118-N18-O31
Molecular weight: 1863.952
InChI: InChI=1S/C83H118N18O31/c1-37(2)63(77(125)101-67(42(7)105)79(127)90-52(83(131)132)26-28-60(111)112)96-82(130)68(43(8)106)100-75(123)54(30-44-16-10-9-11-17-44)95-80(128)65(40(5)103)98-71(119)50(20-14-15-29-84)89-78(126)64(39(4)102)97-69(117)38(3)87-72(120)56(33-61(113)114)92-74(122)57(34-62(115)116)93-73(121)53(31-45-21-23-47(107)24-22-45)94-81(129)66(41(6)104)99-76(124)55(32-46-36-86-49-19-13-12-18-48(46)49)91-70(118)51(25-27-59(109)110)88-58(108)35-85/h9-13,16-19,21-24,36-43,50-57,63-68,86,102-107H,14-15,20,25-35,84-85H2,1-8H3,(H,87,120)(H,88,108)(H,89,126)(H,90,127)(H,91,118)(H,92,122)(H,93,121)(H,94,129)(H,95,128)(H,96,130)(H,97,117)(H,98,119)(H,99,124)(H,100,123)(H,101,125)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t38-,39+,40+,41+,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-,66-,67-,68-/m0/s1
InChI key: SNTPHICVIGDBBQ-UCJIRYPYSA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Systematic name  (3):
  • Gly-Glu-Trp-Thr-Tyr-Asp-Asp-Ala-Thr-Lys-Thr-Phe-Thr-Val-Thr-Glu-OH
  • (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-アミノ-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-(2-アミノアセトアミド)-4-カルボキシブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-ヒドロキシブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-カルボキシプロパンアミド]-3-カルボキシプロパンアミド]プロパンアミド]-3-ヒドロキシブタンアミド]ヘキサンアミド]-3-ヒドロキシブタンアミド]-3-フェニルプロパンアミド]-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]ペンタン二酸
  • (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]propanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-methylbutanamido]-3-hydroxybutanamido]pentanedioic acid
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