(4S)-4-[[4-[(2,4-二氨基蝶啶-6-基)甲基-甲基氨基]苯甲酰基]氨基]-5-[[(2S)-1-羟基-1-氧代丙烷-2-基]氨基]-5-氧代戊酸
[CAS# 116819-28-4]

基本信息

• 产品名称: (4S)-4-[[4-[(2,4-二氨基蝶啶-6-基)甲基-甲基氨基]苯甲酰基]氨基]-5-[[(2S)-1-羟基-1-氧代丙烷-2-基]氨基]-5-氧代戊酸
• 英文名: (4S)-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-5-[[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• 别名: (4S)-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-[[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-[[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Amino]-5-Keto-Valeric Acid
• 分子式: C₂₃H₂₇N₉O₆
• 分子量: 525.52
• CAS 登录号: 116819-28-4
• 分子行输入简码 SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)N[C@H](C(=O)O)C)CCC(=O)O
• 国际化学标识码 InChI: 1S/C23H27N9O6/c1-11(22(37)38)27-21(36)15(7-8-16(33)34)29-20(35)12-3-5-14(6-4-12)32(2)10-13-9-26-19-17(28-13)18(24)30-23(25)31-19/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,27,36)(H,29,35)(H,33,34)(H,37,38)(H4,24,25,26,30,31)/t11-,15-/m0/s1
• 国际化学标识检索码 InChIKey: IYWOCQLKOJVCQN-NHYWBVRUSA-N

物理化学性质

• 密度: 1.495g/cm³ （计算值）