Chem
J-GLOBAL ID:200907068076135545
Nikkaji number:J2.035.225F
N,O-Diacetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
N,O-ジアセチル-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
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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:
C39 H55 N9 O10
Molecular formula furigana:
C39-H55-N9-O10
Molecular weight:
809.922
InChI:
InChI=1S/C39H55N9O10/c1-23(2)18-30(36(54)47-29(38(56)57-5)12-9-17-42-39(40)41)48-37(55)32(19-26-10-7-6-8-11-26)46-34(52)22-43-33(51)21-44-35(53)31(45-24(3)49)20-27-13-15-28(16-14-27)58-25(4)50/h6-8,10-11,13-16,23,29-32H,9,12,17-22H2,1-5H3,(H,43,51)(H,44,53)(H,45,49)(H,46,52)(H,47,54)(H,48,55)(H4,40,41,42)/t29-,30-,31-,32-/m0/s1
InChI key:
NUUYKAXSPSKURK-YDPTYEFTSA-N
SMILES:
COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(OC(=O)C)cc1)NC(=O)C
Systematic name (3):
N,O-ジアセチル-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
メチル (2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-3-[4-(アセチルオキシ)フェニル]-2-アセトアミドプロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタノアート
methyl (2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-3-[4-(acetyloxy)phenyl]-2-acetamidopropanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanoate
Other name (1):
N,O-Diacetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
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