1356841-34-3
2-[N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO]ETHYL METHANETHIOSULFONATE
名称2-[N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO]ETHYL METHANETHIOSULFONATE
1基础信息
【名称】
2-[N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO]ETHYL METHANETHIOSULFONATE
【CAS】
【MDL】
MFCD02683264
【中文同义词】
【英文同义词】
【分子式】
C38 H56 F4 N10 O8 S3
【分子量】
953.112
【Inchi】
InChI=1S/C38H56F4N10O8S3/c1-63(59,60)62-21-20-47-35(56)24(48-27(55)16-5-3-10-19-46-36(57)28-29(39)31(41)34(51-52-43)32(42)30(28)40)13-8-11-18-45-25(53)14-4-2-9-17-44-26(54)15-7-6-12-23-22-61-37-33(23)49-38(58)50-37/h23-24,33,37H,2-22H2,1H3,(H,44,54)(H,45,53)(H,46,57)(H,47,56)(H,48,55)(H2,49,50,58)/t23-,24+,33-,37+/m1/s1
【InChIKey】
InChIKey=NNFBANYDLSDNMV-KRXABWOWSA-N
【SMILES】
CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1CS[C@H]2[C@@H]1NC(=O)N2)NC(=O)CCCCCNC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F
【MOL File】
2-[N2-[N6-(4-AZIDO-2….mol
2化学和物理特性
【属性计算数值】
氢键供体数量:7
氢键受体数量:18
XLogP3:4.0
Bulk/Fine:F
3产品安全数据表
4CML 文件
2-[N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO]ETHYL METHANETHIOSULFONATE.cml