(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl

• 常用名: (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl
• 英文名: (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl
• CAS号: 183747-35-5
• 分子量: 965.01600
• 密度: 1.46g/cm3
• 沸点: 1515.5ºC at 760mmHg
• 分子式: C₄₅H₆₀N₁₀O₁₄
• 熔点: N/A
• 闪点: 870.3ºC

名称

• 英文名: (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl

物理化学性质

• 密度: 1.46g/cm3
• 沸点: 1515.5ºC at 760mmHg
• 分子式: C₄₅H₆₀N₁₀O₁₄
• 分子量: 965.01600
• 闪点: 870.3ºC
• 精确质量: 964.42900
• PSA: 409.75000
• LogP: 0.97010
• InChIKey: NGCNKEZHGRXHNL-WVWQGFTISA-N
• SMILES: CC(=O)NC1C(NC(=O)CC2NC(=O)C(CC(C)C)NC(=O)C3CNC(=O)CC(NC2=O)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(Cc2ccccc2)C(=O)N3)OC(CO)C(O)C1O
• 蒸汽压: 0mmHg at 25°C
• 折射率: 1.66

英文别名

• Nepadutant
• MEN-11,420