siroamide
Chemical Formula:
C42H40N5O15
Molecular Weight:
854.802 Daltons
Monoisotopic Mass:
861.3068658662 Daltons
SMILES:
CC2(CC(=O)N)(C1(=CC5(NC(C=C4(N=C(C=C3(NC(=CC(=N1)C(CCC(=O)[O-])2)C(C)(CC(=O)[O-])C(CCC(=O)[O-])3))C(CC(=O)[O-])=C(CCC(=O)[O-])4))=C(CCC(=O)[O-])C(CC(=O)[O-])=5)))
InChI:
1S/C42H47N5O15/c1-41(17-33(43)48)24(6-10-37(55)56)30-16-32-42(2,18-40(61)62)23(5-9-36(53)54)29(46-32)14-27-21(11-38(57)58)19(3-7-34(49)50)25(44-27)13-26-20(4-8-35(51)52)22(12-39(59)60)28(45-26)15-31(41)47-30/h13-16,23-24,45-46H,3-12,17-18H2,1-2H3,(H2,43,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-7/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7907
PubChem (CID):
90657931
Seed:
cpd24962
MetaNetX:
MNXM12942