For research use only. Not for therapeutic Use.
Catalog Number | M023880 |
CAS Number | 117872-62-5 |
Molecular Formula | C72H111N19O31P2 |
Purity | ≥95% |
Storage | -20°C |
InChI | InChI=1S/C72H108N19O27P.H3O4P/c1-5-35(2)57(90-66(109)52(34-55(100)101)87-60(103)45(12-9-29-80-72(77)78)83-67(110)56(74)36(3)92)68(111)88-50(32-40-17-23-43(24-18-40)118-119(115,116)117)63(106)82-46(25-26-53(96)97)61(104)91-58(37(4)93)69(112)89-51(33-54(98)99)65(108)86-49(31-39-15-21-42(95)22-16-39)64(107)85-48(30-38-13-19-41(94)20-14-38)62(105)81-44(11-8-28-79-71(75)76)59(102)84-47(70(113)114)10-6-7-27-73;1-5(2,3)4/h13-24,35-37,44-52,56-58,92-95H,5-12,25-34,73-74H2,1-4H3,(H,81,105)(H,82,106)(H,83,110)(H,84,102)(H,85,107)(H,86,108)(H,87,103)(H,88,111)(H,89,112)(H,90,109)(H,91,104)(H,96,97)(H,98,99)(H,100,101)(H,113,114)(H4,75,76,79)(H4,77,78,80)(H2,115,116,117);(H3,1,2,3,4)/t35?,36-,37-,44+,45+,46+,47+,48+,49+,50+,51+,52+,56+,57+,58+;/m1./s1 |
InChIKey | HKYIOFRKKCTURL-HNTVXUCQSA-N |
SMILES | CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)N.OP(=O)(O)O |