Pneumocandin D(0)
Molecular Formula:
C50H80N8O18
InChI: InChI=1/C50H80N8O18/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-36(66)52-30-20-33(63)46(72)56-48(74)40-42(68)34(64)23-58(40)50(76)38(32(62)21-35(51)65)54-47(73)39(43(69)41(67)27-14-16-28(60)17-15-27)55-45(71)31-19-29(61)22-57(31)49(75)37(26(4)59)53-44(30)70/h14-17,24-26,29-34,37-43,46,59-64,67-69,72H,5-13,18-23H2,1-4H3,(H2,51,65)(H,52,66)(H,53,70)(H,54,73)(H,55,71)(H,56,74)/t24u,25u,26-,29-,30-,31+,32-,33+,34+,37+,38+,39+,40+,41-,42+,43?,46-/m1/s1/f/h52-56H,51H2
InChIKey: InChIKey=QDHVQAJPCGRBRI-WWRAKKLXDN
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O)O
Names:
Pneumocandin D(0)
Pneumocandin D0
144087-99-0
Registries:
PubChem CID 72975
PubChem ID 215217
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