Chem
J-GLOBAL ID:200907024623860791   Nikkaji number:J1.692.803H

N-Methyl-L-Nle-D-Lac-N-methyl-L-Ile-D-Lac-N-methyl-L-Leu-3-phenyl-D-Lac-L-Pip-D-Lac-OH

N-メチル-L-Nle-D-Lac-N-メチル-L-Ile-D-Lac-N-メチル-L-Leu-3-フェニル-D-Lac-L-Pip-D-Lac-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: C45H70N4O13
Molecular formula furigana: C45-H70-N4-O13
Molecular weight: 875.070
InChI: InChI=1S/C45H70N4O13/c1-12-14-22-33(46-9)42(55)59-30(7)39(51)48(11)37(28(5)13-2)45(58)60-29(6)38(50)47(10)35(25-27(3)4)44(57)62-36(26-32-20-16-15-17-21-32)40(52)49-24-19-18-23-34(49)43(56)61-31(8)41(53)54/h15-17,20-21,27-31,33-37,46H,12-14,18-19,22-26H2,1-11H3,(H,53,54)/t28-,29+,30+,31+,33-,34-,35-,36+,37-/m0/s1
InChI key: OORCUUVEFVWBLW-PMXBUHNLSA-N
SMILES: CCCC[C@H](NC)C(=O)O[C@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)O
Systematic name  (3):
  • N-メチル-L-Nle-D-Lac-N-メチル-L-Ile-D-Lac-N-メチル-L-Leu-3-フェニル-D-Lac-L-Pip-D-Lac-OH
  • (2R)-2-[(2S)-1-[(2R)-2-{[(2S)-4-メチル-2-[(2R)-N-メチル-2-{[(2S,3S)-3-メチル-2-[(2R)-N-メチル-2-{[(2S)-2-(メチルアミノ)ヘキサノイル]オキシ}プロパンアミド]ペンタノイル]オキシ}プロパンアミド]ペンタノイル]オキシ}-3-フェニルプロパノイル]ピペリジン-2-カルボニルオキシ]プロパン酸
  • (2R)-2-[(2S)-1-[(2R)-2-{[(2S)-4-methyl-2-[(2R)-N-methyl-2-{[(2S,3S)-3-methyl-2-[(2R)-N-methyl-2-{[(2S)-2-(methylamino)hexanoyl]oxy}propanamido]pentanoyl]oxy}propanamido]pentanoyl]oxy}-3-phenylpropanoyl]piperidine-2-carbonyloxy]propanoic acid
Other name (1):
  • N-Methyl-L-Nle-D-Lac-N-methyl-L-Ile-D-Lac-N-methyl-L-Leu-3-phenyl-D-Lac-L-Pip-D-Lac-OH
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