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Chem
J-GLOBAL ID：200907001920543797
Nikkaji number：J1.170.755F Ac-Ala-Aib-Ala-Ile-Ala-3-(Diphenylthiophosphino)-N-Fmoc-Ala-3-(diphenylthiophosphino)-N-Fmoc-Ala-Ala-Aib-Ala-NH2
Ac-Ala-Aib-Ala-Ile-Ala-3-(ジフェニルチオホスフィノ)-N-Fmoc-Ala-3-(ジフェニルチオホスフィノ)-N-Fmoc-Ala-Ala-Aib-Ala-NH2
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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： C91H103N11O15P2S2
Molecular formula furigana： C91-H103-N11-O15-P2-S2
Molecular weight： 1716.950
InChI：
InChI=1S/C91H103N11O15P2S2/c1-13-54(2)77(98-79(105)56(4)97-87(113)91(11,12)99-80(106)57(5)93-60(8)103)83(109)95-59(7)84(110)102(89(115)117-51-74-71-48-32-28-44-67(71)68-45-29-33-49-72(68)74)76(53-119(121,63-38-22-16-23-39-63)64-40-24-17-25-41-64)85(111)101(88(114)116-50-73-69-46-30-26-42-65(69)66-43-27-31-47-70(66)73)75(52-118(120,61-34-18-14-19-35-61)62-36-20-15-21-37-62)82(108)94-58(6)81(107)100-90(9,10)86(112)96-55(3)78(92)104/h14-49,54-59,73-77H,13,50-53H2,1-12H3,(H2,92,104)(H,93,103)(H,94,108)(H,95,109)(H,96,112)(H,97,113)(H,98,105)(H,99,106)(H,100,107)/t54-,55-,56-,57-,58-,59-,75-,76-,77-/m0/s1
InChI key：
DBBZVSDTRRCZOA-JFDJQOSRSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C)C(=O)N[C@@H](C)C(=O)N([C@@H](CP(=S)(c1ccccc1)c1ccccc1)C(=O)N([C@@H](CP(=S)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N)C(=O)OCC1c2ccccc2c2ccccc12)C(=O)OCC1c2ccccc2c2ccccc12
Systematic name (3)： - Ac-Ala-Aib-Ala-Ile-Ala-3-(ジフェニルチオホスフィノ)-N-Fmoc-Ala-3-(ジフェニルチオホスフィノ)-N-Fmoc-Ala-Ala-Aib-Ala-NH2
- (9H-フルオレン-9-イル)メチル N-[(2R)-1-{[(1R)-1-{[(1S)-1-[(1-{[(1S)-1-カルバモイルエチル]カルバモイル}-1-メチルエチル)カルバモイル]エチル]カルバモイル}-2-[ジフェニル(スルファニリデン)-λ5-ホスファニル]エチル]({[(9H-フルオレン-9-イル)メトキシ]カルボニル})アミノ}-3-[ジフェニル(スルファニリデン)-λ5-ホスファニル]-1-オキソプロパン-2-イル]-N-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-アセトアミドプロパンアミド]-2-メチルプロパンアミド}プロパンアミド]-3-メチルペンタンアミド]プロパノイル]カルバマート
- (9H-fluoren-9-yl)methyl N-[(2R)-1-{[(1R)-1-{[(1S)-1-[(1-{[(1S)-1-carbamoylethyl]carbamoyl}-1-methylethyl)carbamoyl]ethyl]carbamoyl}-2-[diphenyl(sulfanylidene)-λ5-phosphanyl]ethyl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}-3-[diphenyl(sulfanylidene)-λ5-phosphanyl]-1-oxopropan-2-yl]-N-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-acetamidopropanamido]-2-methylpropanamido}propanamido]-3-methylpentanamido]propanoyl]carbamate
- Ac-Ala-Aib-Ala-Ile-Ala-3-(Diphenylthiophosphino)-N-Fmoc-Ala-3-(diphenylthiophosphino)-N-Fmoc-Ala-Ala-Aib-Ala-NH2
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