Chem
J-GLOBAL ID:200907016931818140   Nikkaji number:J1.836.394A

N-[3-(2-Pentylphenyl)propanoyl]-D-Tyr-O,N-dimethyl-L-Tyr-N-methyl-L-Phe-OH

N-[3-(2-ペンチルフェニル)プロパノイル]-D-Tyr-O,N-ジメチル-L-Tyr-N-メチル-L-Phe-OH
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: C44H53N3O7
Molecular formula furigana: C44-H53-N3-O7
Molecular weight: 735.922
InChI: InChI=1S/C44H53N3O7/c1-5-6-8-15-34-16-11-12-17-35(34)22-27-41(49)45-38(28-32-18-23-36(48)24-19-32)42(50)46(2)39(29-33-20-25-37(54-4)26-21-33)43(51)47(3)40(44(52)53)30-31-13-9-7-10-14-31/h7,9-14,16-21,23-26,38-40,48H,5-6,8,15,22,27-30H2,1-4H3,(H,45,49)(H,52,53)/t38-,39+,40+/m1/s1
InChI key: BLEUACJEKSWVSZ-WKSNTLBMSA-N
SMILES: CCCCCc1ccccc1CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3):
  • N-[3-(2-ペンチルフェニル)プロパノイル]-D-Tyr-O,N-ジメチル-L-Tyr-N-メチル-L-Phe-OH
  • (2S)-2-[(2S)-2-[(2R)-3-(4-ヒドロキシフェニル)-N-メチル-2-[3-(2-ペンチルフェニル)プロパンアミド]プロパンアミド]-3-(4-メトキシフェニル)-N-メチルプロパンアミド]-3-フェニルプロパン酸
  • (2S)-2-[(2S)-2-[(2R)-3-(4-hydroxyphenyl)-N-methyl-2-[3-(2-pentylphenyl)propanamido]propanamido]-3-(4-methoxyphenyl)-N-methylpropanamido]-3-phenylpropanoic acid
Other name (1):
  • N-[3-(2-Pentylphenyl)propanoyl]-D-Tyr-O,N-dimethyl-L-Tyr-N-methyl-L-Phe-OH
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