Scrambled 10Panx
Scrambled 10Panx · CAS 1315378-72-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Scrambled 10Panx
- CAS
- 1315378-72-3
- CID
- 71464424
- IUPAC 名称
- 2-[[2-[2-[[5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Scrambled 10Panx
- CAS
- 1315378-72-3
- CID
- 71464424
- IUPAC 名称
- 2-[[2-[2-[[5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
分子属性
- 分子式
- C58H79N15O16
- 分子量
- 1242.3 g/mol
- 精确质量
- 1241.58292149 Da
- 单同位素质量
- 1241.58292149 Da
- XLogP
- -4.1
- 极性表面积
- 526 Ų
- 氢键供体
- 18
- 氢键受体
- 18
- 可旋转键
- 36
- 重原子数
- 89
- 净电荷
- 0
- 结构复杂度
- 2470
结构标识
- InChIKey
- VNQGVHMGXBRHRA-UHFFFAOYSA-N
- SMILES
- CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CC4=CC=CC=C4)N
- InChI
- InChI=1S/C58H79N15O16/c1-29(2)47(73-55(86)44(28-74)72-50(81)37(59)23-32-11-6-5-7-12-32)56(87)71-41(24-33-16-18-35(75)19-17-33)53(84)70-42(25-34-27-64-38-14-9-8-13-36(34)38)52(83)66-30(3)48(79)67-39(20-21-45(60)76)51(82)65-31(4)49(80)69-43(26-46(77)78)54(85)68-40(57(88)89)15-10-22-63-58(61)62/h5-9,11-14,16-19,27,29-31,37,39-44,47,64,74-75H,10,15,20-26,28,59H2,1-4H3,(H2,60,76)(H,65,82)(H,66,83)(H,67,79)(H,68,85)(H,69,80)(H,70,84)(H,71,87)(H,72,81)(H,73,86)(H,77,78)(H,88,89)(H4,61,62,63)