Chem
J-GLOBAL ID:200907051655868163
Nikkaji number:J1.767.695D
N-[1-(1-Carboxypentadecyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
N-[1-(1-カルボキシペンタデシル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
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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:
C41 H57 N7 O8
Molecular formula furigana:
C41-H57-N7-O8
Molecular weight:
775.948
InChI:
InChI=1S/C41H57N7O8/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-35(41(55)56)48-29-34(46-47-48)40(54)45-33(26-31-22-17-14-18-23-31)39(53)42-27-36(49)44-32(38(52)43-28-37(50)51)25-30-20-15-13-16-21-30/h13-18,20-23,29,32-33,35H,2-12,19,24-28H2,1H3,(H,42,53)(H,43,52)(H,44,49)(H,45,54)(H,50,51)(H,55,56)/t32-,33-,35?/m0/s1
InChI key:
AJCQCUJUPNGUMF-HEVKVOQNSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)O)n1cc(nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Systematic name (3):
N-[1-(1-カルボキシペンタデシル)-1H-1,2,3-トリアゾール-4-イルカルボニル]-Phe-Gly-Phe-Gly-OH
2-(4-{[(1S)-1-[({[(1S)-1-[(カルボキシメチル)カルバモイル]-2-フェニルエチル]カルバモイル}メチル)カルバモイル]-2-フェニルエチル]カルバモイル}-1H-1,2,3-トリアゾール-1-イル)ヘキサデカン酸
2-(4-{[(1S)-1-[({[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-1H-1,2,3-triazol-1-yl)hexadecanoic acid
Other name (1):
N-[1-(1-Carboxypentadecyl)-1H-1,2,3-triazole-4-ylcarbonyl]-Phe-Gly-Phe-Gly-OH
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