(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)diphenylmethyl]sulfanyl}propanoic acid

• ChemBase编号: 143253
• 分子式: C38H33NO5S
• 平均质量: 615.73732
• 单一同位素质量: 615.20794416
• SMILES: COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)SC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)SC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C38H33NO5S/c1-43-29-22-20-28(21-23-29)38(26-12-4-2-5-13-26,27-14-6-3-7-15-27)45-25-35(36(40)41)39-37(42)44-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)/t35-/m0/s1
• InChIKey: LOBUWFUSGOYXQX-DHUJRADRSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)diphenylmethyl]sulfanyl}propanoic acid
• IUPAC传统名: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)diphenylmethyl]sulfanyl}propanoic acid
• 别名: (R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)diphenylmethylsulfanyl]propionic acid; Fmoc-Cys(Mmt)-OH; Nα-(9-Fluorenylmethyloxycarbonyl)-S-4-methoxytrityl-L-cysteine; Fmoc-Cys(4-methoxytrityl)-OH

登记号

• CAS号: 177582-21-7
• MDL号: MFCD00270541
• Beilstein号: 8524562
• PubChem SID: 162237474
• PubChem CID: 10995693

理论计算性质

• Acid pKa: 3.7408755
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 6.409514
• LogD (pH = 7.4): 4.8802876
• Log P: 8.168828
• 摩尔折射率: 178.6154 cm^3
• 极化性: 70.23341 Å^3
• 极化表面积: 84.86 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 比旋光度: [α]/D +14.0±1.0°, c = 1 in THF

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C38H33NO5S

详细说明

Sigma Aldrich - 727997

包装
5 g in glass bottle