Capastat sulfate(1405-37-4) MS
Product NameCapastat sulfate
CAS1405-37-4
Molecular FormulaC24H44N14O12S
Molecular Weight752.76
InChIInChI=1/C24H42N14O8.H2O4S/c25-4-1-2-10(26)17(40)32-7-13-19(42)34-14(8-33-24(29)46)20(43)38-16(12-3-5-30-23(28)37-12)22(45)31-6-11(27)18(41)36-15(9-39)21(44)35-13;1-5(2,3)4/h8,10-13,15-16,39H,1-7,9,25-27H2,(H,31,45)(H,32,40)(H,34,42)(H,35,44)(H,36,41)(H,38,43)(H3,28,30,37)(H3,29,33,46);(H2,1,2,3,4)/b14-8-;/t10-,11-,12?,13-,15-,16-;/s3
InChIKey LFFNIXQXRKNZCE-WVNOBSRANA-N
SmilesC1(CCNC(=N)N1)[C@H]1C(=O)NC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](N)CCCN)C(=O)N/C(=C\NC(=O)N)/C(=O)N1)CO.S(=O)(=O)(O)O |&1:7,12,17,21,26,r|
