Chem
J-GLOBAL ID：200907027347426488   Nikkaji number：J2.035.229I

O-[1-Hydroxy-1-methyl-2-(N,O-diacetyl-Tyr-Gly-amino)ethyl]-N-acetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe

O-[1-ヒドロキシ-1-メチル-2-(N,O-ジアセチル-Tyr-Gly-アミノ)エチル]-N-アセチル-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
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： C55H76N12O15
Molecular formula furigana： C55-H76-N12-O15
Molecular weight： 1145.282
InChI： InChI=1S/C55H76N12O15/c1-32(2)24-42(51(76)66-41(53(78)80-7)14-11-23-58-54(56)57)67-52(77)45(25-36-12-9-8-10-13-36)65-48(73)30-59-46(71)28-60-49(74)44(64-34(4)69)27-38-17-21-40(22-18-38)82-55(6,79)31-62-47(72)29-61-50(75)43(63-33(3)68)26-37-15-19-39(20-16-37)81-35(5)70/h8-10,12-13,15-22,32,41-45,79H,11,14,23-31H2,1-7H3,(H,59,71)(H,60,74)(H,61,75)(H,62,72)(H,63,68)(H,64,69)(H,65,73)(H,66,76)(H,67,77)(H4,56,57,58)/t41-,42-,43-,44-,45-,55?/m0/s1
InChI key： BXGCQPIVIWRVOT-TTZRXFKUSA-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(C)(O)CNC(=O)CNC(=O)[C@H](Cc2ccc(OC(=O)C)cc2)NC(=O)C)cc1)NC(=O)C
Systematic name  (3)：
  • O-[1-ヒドロキシ-1-メチル-2-(N,O-ジアセチル-Tyr-Gly-アミノ)エチル]-N-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-[(1-{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}-2-ヒドロキシプロパン-2-イル)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-[(1-{2-[(2S)-3-[4-(acetyloxy)phenyl]-2-acetamidopropanamido]acetamido}-2-hydroxypropan-2-yl)oxy]phenyl}-2-acetamidopropanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanoate
Other name (1)：
  • O-[1-Hydroxy-1-methyl-2-(N,O-diacetyl-Tyr-Gly-amino)ethyl]-N-acetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
Thsaurus map：
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