Chem
J-GLOBAL ID：200907004371355249   Nikkaji number：J264.994B

E-2078

E-2078
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： C50H81N15O9
Molecular formula furigana： C50-H81-N15-O9
Molecular weight： 1036.294
InChI： InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1
InChI key： JENWDDCMEATQSR-ONSKYXJOSA-N
SMILES： CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=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(O)cc1)NC
Systematic name  (4)：
  • メチル-L-Tyr-Gly-Gly-L-Phe-L-Leu-L-Arg-N2-メチル-L-Arg-D-Leu-NHEt
  • N-メチル-L-Tyr-Gly-Gly-L-Phe-L-Leu-L-Arg-Nα-メチル-L-Arg-D-Leu-NHEt
  • (2R)-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-3-(4-ヒドロキシフェニル)-2-(メチルアミノ)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]-N-メチルペンタンアミド]ペンタンアミド]-N-エチル-4-メチルペンタンアミド
  • (2R)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-N-methylpentanamido]pentanamido]-N-ethyl-4-methylpentanamide
Other name (4)：
  • E-2078
  • 66A-078
  • N-Methyl-L-Tyr-Gly-Gly-L-Phe-L-Leu-L-Arg-Nα-methyl-L-Arg-D-Leu-NHEt
  • Methyl-L-Tyr-Gly-Gly-L-Phe-L-Leu-L-Arg-N2-methyl-L-Arg-D-Leu-NHEt
CAS registry number： 103613-84-9
Application (2)：
analgesic ,  diuretic
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