Chem
J-GLOBAL ID：200907032914868040   Nikkaji number：J397.476F

L-Tyr-D-Arg-Gly-4-Nitro-L-Phe-L-Pro-NH2

L-Tyr-D-Arg-Gly-4-ニトロ-L-Phe-L-Pro-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： C31H42N9[N+]O7[O-]
Molecular formula furigana： C31-H42-N10-O8
Molecular weight： 682.739
InChI： InChI=1S/C31H42N10O8/c32-22(15-18-7-11-21(42)12-8-18)28(45)39-23(3-1-13-36-31(34)35)29(46)37-17-26(43)38-24(16-19-5-9-20(10-6-19)41(48)49)30(47)40-14-2-4-25(40)27(33)44/h5-12,22-25,42H,1-4,13-17,32H2,(H2,33,44)(H,37,46)(H,38,43)(H,39,45)(H4,34,35,36)/t22-,23+,24-,25-/m0/s1
InChI key： KCFHMBXKJQJYFK-NDBXHCKUSA-N
SMILES： N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)N
Systematic name  (3)：
  • L-Tyr-D-Arg-Gly-4-ニトロ-L-Phe-L-Pro-NH2
  • (2S)-1-[(2S)-2-{2-[(2R)-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ペンタンアミド]アセトアミド}-3-(4-ニトロフェニル)プロパノイル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]acetamido}-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
Other name (1)：
  • L-Tyr-D-Arg-Gly-4-Nitro-L-Phe-L-Pro-NH2
CAS registry number： 88331-13-9
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