Boc-Phe-D-Leu-Phe-D-Leu-Phe-OH

tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH

HCID 132822CAS 148182-34-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: NGNZQSPFQJCBJQ-LTLCPEALSA-N
分子式: C44H59N5O8
平均分子量: 786 g/mol
単同位体質量: 785.43636385

名称と識別子

優先名称: tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH
IUPAC: (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
現地名: Boc-Phe-D-Leu-Phe-D-Leu-Phe-OH
英語名: BOC-PHE-D-LEU-PHE-D-LEU-PHE-OH
分子式: C44H59N5O8
分子量: 785.97

名称と別名

Boc-flflf148182-34-7tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OHRefChem:18826573572-58-4Boc-Phe-Leu-Phe-Leu-Phe-OHBoc-phe(D)-leu-phe(D)-leu-phe-OH(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acidBOCPheLeuPheLeuPheL-Phenylalanine, N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl)-L-leucyl)-D-phenylalanyl)-L-leucyl)-MFCD00076350Boc2; Boc-FLFLF

名称をさらに表示

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-3-フェニルプロパン酸Boc-Phe-D-Leu-Phe-D-Leu-Phe-OHBoc-FLFLF, Boc-2BOC-PHE-LEU-PHE-LEU-PHEN-Boc-Phe-Leu-Phe-Leu-PheBOC-PHE-D-LEU-PHE-D-LEU-PHEN-T-BOC-PHE-LEU-PHE-LEU-PHEBOC-PHE-D-LEU-PHE-D-LEU-PHE-OHn-t-boc-phe-leu-phe-leu-phe,-20to0N-T-BOC-PHE-LEU-PHE-LEU-PHE MINIMUM 90% (HPLC)N(tert-BOC)-(phenylalanine-leucine)2-phenylalanine

BOC-PLPLPorb2802032SCHEMBL3046634NGNZQSPFQJCBJQ-LTLCPEALSA-NDTXSID601366063TP2924DA-58423FB111222

データベース識別子

CAS: 148182-34-7、73572-58-4
PubChem CID: 132822
DTXSID: DTXSID601366063
Nikkaji: J999.930B

物性

構造計算による物性

XLogP: 6.6
極性表面積: 192 Å²
水素結合供与体数: 6
水素結合受容体数: 8
回転可能結合数: 22
重原子数: 57
形式電荷: 0
複雑度: 1,300

物理化学的性質

沸点: 1043.2 · 1043.2±65.0 °C(Predicted)
比重(密度): 1.167 · 1.167±0.06 g/cm3(Predicted)
溶解性: 0.1 · Chloroform: Slightly soluble: 0.1-1 mg/mlMethanol: Slightly soluble: 0.1-1 mg/ml
酸解離定数(Pka): 3.51 · 3.51±0.10(Predicted)
外見: Solid