Chem
J-GLOBAL ID：200907018015041710   Nikkaji number：J1.381.819C

Tyr-Arg-[4-(β-D-Glucopyranosyloxy)phenyl]NH2

Tyr-Arg-[4-(β-D-グルコピラノシルオキシ)フェニル]NH2
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： C27H38N6O9
Molecular formula furigana： C27-H38-N6-O9
Molecular weight： 590.634
InChI： InChI=1S/C27H38N6O9/c28-18(12-14-3-7-16(35)8-4-14)24(39)33-19(2-1-11-31-27(29)30)25(40)32-15-5-9-17(10-6-15)41-26-23(38)22(37)21(36)20(13-34)42-26/h3-10,18-23,26,34-38H,1-2,11-13,28H2,(H,32,40)(H,33,39)(H4,29,30,31)/t18-,19-,20+,21+,22-,23+,26+/m0/s1
InChI key： WJSVFNVNAZPHLY-PCZKDHFWSA-N
SMILES： N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • Tyr-Arg-[4-(β-D-グルコピラノシルオキシ)フェニル]NH2
  • (2S)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-5-カルバムイミドアミド-N-(4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)ペンタンアミド
  • (2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamido-N-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)pentanamide
Other name (1)：
  • Tyr-Arg-[4-(β-D-Glucopyranosyloxy)phenyl]NH2
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