echinocandin C
Chemical Formula:
C52H81N7O15
Molecular Weight:
1044.25 Daltons
Monoisotopic Mass:
1043.579064968 Daltons
SMILES:
CCCCCC=CCC=CCCCCCCCC(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)CC4(=CC=C(O)C=C4)))=O)
InChI:
1S/C52H81N7O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(66)53-36-27-39(65)48(70)57-50(72)44-45(67)30(2)28-59(44)52(74)42(32(4)61)55-49(71)43(38(64)25-33-21-23-34(62)24-22-33)56-47(69)37-26-35(63)29-58(37)51(73)41(31(3)60)54-46(36)68/h9-10,12-13,21-24,30-32,35-39,41-45,48,60-65,67,70H,5-8,11,14-20,25-29H2,1-4H3,(H,53,66)(H,54,68)(H,55,71)(H,56,69)(H,57,72)/b10-9-,13-12-/t30-,31+,32+,35+,36-,37-,38+,39+,41-,42-,43-,44-,45-,48+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17740
PubChem (CID):
71723607
ChemSpider:
28540479
MetaNetX:
MNXM148232