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Substance Name: Pneumocandin B0, 5-((3R)-3-hydroxy-L-ornithine)-
RN: 150283-04-8
InChIKey: OXVVQYCKEAJWFA-DATADPGSSA-N

Note

  • A water-soluble semisynthetic derivative of pneumocandin Bo.

Molecular Formula

  • C50-H82-N8-O16

Molecular Weight

  • 1051.2378
 
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Names and Synonyms

Synonyms

  • L 731373
  • L-731,373
  • Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-

Systematic Name

  • Pneumocandin B0, 5-((3R)-3-hydroxy-L-ornithine)-

Registry Numbers

CAS Registry Number

  • 150283-04-8

System Generated Number

  • 0150283048

Structure Descriptors

InChI

1S/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31+,32+,33-,34-,35-,36+,38-,39-,40-,41-,42-,43-,46+/m0/s1

InChIKey

OXVVQYCKEAJWFA-DATADPGSSA-N

Smiles

CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@H](CCN)O)O)O)O