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Substance Name: Pneumocandin D(0)
RN: 144087-99-0
InChIKey: QDHVQAJPCGRBRI-ULQDJTMQSA-N

Note

  • A potent inhibitor of Pneumocystis carinii.

Molecular Weight

  • 1081.22
 
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Names and Synonyms

Name of Substance

  • Pneumocandin D(0)

Synonym

  • Pneumocandin D0

Registry Numbers

CAS Registry Number

  • 144087-99-0

System Generated Number

  • 0144087990

Structure Descriptors

InChI

1S/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)/t24?,25?,26-,29-,30+,31+,32-,33+,34+,37+,38+,39+,40+,41-,42+,43?,46-/m1/s1

InChIKey

QDHVQAJPCGRBRI-ULQDJTMQSA-N

Smiles

N12[C@H](C(N[C@@H]([C@H](C[C@@H](C(N[C@@H]([C@H](O)C)C(N3[C@H](C(N[C@H](C(N[C@H](C1=O)[C@@H](CC(=O)N)O)=O)[C@H]([C@@H](c1ccc(O)cc1)O)O)=O)C[C@H](O)C3)=O)=O)NC(=O)CCCCCCCC[C@@H](C[C@@H](CC)C)C)O)O)=O)[C@@H](O)[C@H](C2)O