1110660-40-6
12-Oxa-2,5,10-triazatetradecanoic acid, 9-carboxy-13,13-dimethyl-6,11-dioxo-, 1-(1,1-dimethylethyl) ester, (9S)-
名称12-Oxa-2,5,10-triazatetradecanoic acid, 9-carboxy-13,13-dimethyl-6,11-dioxo-, 1-(1,1-dimethylethyl) ester, (9S)-
1基础信息
【名称】
12-Oxa-2,5,10-triazatetradecanoic acid, 9-carboxy-13,13-dimethyl-6,11-dioxo-, 1-(1,1-dimethylethyl) ester, (9S)-
【CAS】
【MDL】
【中文同义词】
【英文同义词】
【分子式】
C17H31N3O7
【分子量】
389.4439
【Inchi】
InChI=1S/C17H31N3O7/c1-16(2,3)26-14(24)19-10-9-18-12(21)8-7-11(13(22)23)20-15(25)27-17(4,5)6/h11H,7-10H2,1-6H3,(H,18,21)(H,19,24)(H,20,25)(H,22,23)/t11-/m0/s1
【InChIKey】
InChIKey=CLWJXADJPPWVSE-NSHDSACASA-N
【SMILES】
C(=O)(O)[C@H](CCC(NCCNC(=O)OC(C)(C)C)=O)NC(OC(C)(C)C)=O
【MOL File】
12-Oxa-2,5,10-triaza….mol
2化学和物理特性
【属性计算数值】
氢键供体数量:0
氢键受体数量:0
XLogP3:0.0
Bulk/Fine:
3产品安全数据表
4CML 文件
12-Oxa-2,5,10-triazatetradecanoic acid, 9-carboxy-13,13-dimethyl-6,11-dioxo-, 1-(1,1-dimethylethyl) ester, (9S)-.cml