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Substance Name: L 705589
RN: 150220-81-8
InChIKey: ZCNYHIMDCYQWRN-OPIWARQOSA-N

Note

  • A water-soluble semisynthetic pneumocandin Bo derivative.

Molecular Formula

  • C52-H85-N9-O17

Molecular Weight

  • 1108.2895
 
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Names and Synonyms

Name of Substance

  • L 705589

Synonym

  • L-705589

Systematic Name

  • Pneumocandin B0, 1-((4R,5R)-5-(2-aminoethoxy)-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine)-

Registry Numbers

CAS Registry Number

  • 150220-81-8

System Generated Number

  • 0150220818

Structure Descriptors

InChI

1S/C52H85N9O17/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(69)55-34-23-38(67)50(78-19-18-53)59-48(74)36-22-33(65)26-61(36)52(77)42(37(66)24-39(54)68)57-49(75)43(45(71)44(70)30-14-16-31(63)17-15-30)58-47(73)35-21-32(64)25-60(35)51(76)41(29(4)62)56-46(34)72/h14-17,27-29,32-38,41-45,50,62-67,70-71H,5-13,18-26,53H2,1-4H3,(H2,54,68)(H,55,69)(H,56,72)(H,57,75)(H,58,73)(H,59,74)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+,45+,50-/m1/s1

InChIKey

ZCNYHIMDCYQWRN-OPIWARQOSA-N

Smiles

CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CN2C(=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](CC(=O)N)O)O)OCCN)O