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Substance Name: L 693989
RN: 138661-20-8
InChIKey: VAHIZUPRWJROTF-UHFFFAOYSA-M

Note

  • Has antipneumocystis activity.

Molecular Weight

  • 1167.18
 
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Names and Synonyms

Name of Substance

  • L 693989

Synonym

  • L-693,989

Systematic Name

  • L-Proline, N2-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-(phosphonooxy)phenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6-1)-peptide, monosodium salt, trans-

Registry Numbers

CAS Registry Number

  • 138661-20-8

System Generated Number

  • 0138661208

Structure Descriptors

InChI

1S/C50H81N8O20P.Na/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(65)52-31-22-35(63)46(70)56-48(72)41-33(61)18-19-57(41)50(74)39(34(62)23-36(51)64)54-47(71)40(43(67)42(66)28-14-16-30(17-15-28)78-79(75,76)77)55-45(69)32-21-29(60)24-58(32)49(73)38(27(4)59)53-44(31)68;/h14-17,25-27,29,31-35,38-43,46,59-63,66-67,70H,5-13,18-24H2,1-4H3,(H2,51,64)(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)(H2,75,76,77);/q;+1/p-1

InChIKey

VAHIZUPRWJROTF-UHFFFAOYSA-M

Smiles

C1N2[C@@H](C[C@@H]1O)C(N[C@@H]([C@@H](O)[C@@H](O)c1ccc(OP([O-])(O)=O)cc1)C(=O)N[C@@H]([C@@H](CC(N)=O)O)C(N1CC[C@@H](O)[C@@H]1C(=O)N[C@@H](O)[C@@H](O)C[C@@H](NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)C(N[C@@H](C2=O)[C@@H](C)O)=O)=O)=O.[Na+]