Chem
J-GLOBAL ID：201707014842281087
Nikkaji number：J3.579.682G
N-Dodecyl-[[[2-[4,5-bis(butylthio)-1,3-dithiol-2-ylidene]-5H-1,3-dithiolo[4,5-c]pyrrole]-5-yl]acetyl-L-Phe-L-Phe-NH2]
N-ドデシル-[[[2-[4,5-ビス(ブチルチオ)-1,3-ジチオール-2-イリデン]-5H-1,3-ジチオロ[4,5-c]ピロール]-5-イル]アセチル-L-Phe-L-Phe-NH2]
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
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
Molecular formula： C48H66N4O3S6
Molecular formula furigana： C48-H66-N4-O3-S6
Molecular weight： 939.440
InChI：
InChI=1S/C48H66N4O3S6/c1-4-7-10-11-12-13-14-15-16-23-28-49-43(54)38(31-36-24-19-17-20-25-36)51-44(55)39(32-37-26-21-18-22-27-37)50-42(53)35-52-33-40-41(34-52)59-47(58-40)48-60-45(56-29-8-5-2)46(61-48)57-30-9-6-3/h17-22,24-27,33-34,38-39H,4-16,23,28-32,35H2,1-3H3,(H,49,54)(H,50,53)(H,51,55)/t38-,39-/m0/s1
InChI key：
JUQZMWKTHQHRHV-YDAXCOIMSA-N
SMILES：
CCCCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc2s/c(=C/3\SC(=C(SCCCC)S3)SCCCC)/sc2c1
Systematic name (3)：
- N-ドデシル-[[[2-[4,5-ビス(ブチルチオ)-1,3-ジチオール-2-イリデン]-5H-1,3-ジチオロ[4,5-c]ピロール]-5-イル]アセチル-L-Phe-L-Phe-NH2]
- (2S)-2-(2-{2-[4,5-ビス(ブチルスルファニル)-2H-1,3-ジチオール-2-イリデン]-2H,5H-[1,3]ジチオロ[4,5-c]ピロール-5-イル}アセトアミド)-N-[(1S)-1-(ドデシルカルバモイル)-2-フェニルエチル]-3-フェニルプロパンアミド
- (2S)-2-(2-{2-[4,5-bis(butylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H,5H-[1,3]dithiolo[4,5-c]pyrrol-5-yl}acetamido)-N-[(1S)-1-(dodecylcarbamoyl)-2-phenylethyl]-3-phenylpropanamide
- N-Dodecyl-[[[2-[4,5-bis(butylthio)-1,3-dithiol-2-ylidene]-5H-1,3-dithiolo[4,5-c]pyrrole]-5-yl]acetyl-L-Phe-L-Phe-NH2]
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