saframycin A
Chemical Formula:
C29H30N4O8
Molecular Weight:
562.578 Daltons
Monoisotopic Mass:
562.2063639606 Daltons
SMILES:
CC3(C(=O)C4(C[CH]5(C2(N(C)C(CC1(C(=O)C(C)=C(OC)C(=O)C=12))C(C#N)N(C(CNC(=O)C(=O)C)C(C(=O)C(OC)=3)=4)5))))
InChI:
1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17-,18-,19-,22-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16513
PubChem (CID):
100594
ChemSpider:
16738394
MetaNetX:
MNXM149187