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Substance Name: Teixobactin
RN: 1613225-53-8
UNII: LC730GUE72
InChIKey: LMBFAGIMSUYTBN-MPZNNTNKSA-N

Note

  • Isolated from an Aquabacteria soil bacterium.

Molecular Weight

  • 1242.4785
 
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Names and Synonyms

Name of Substance

  • Teixobactin

Synonym

  • UNII-LC730GUE72

Systematic Name

  • L-Serinamide, N-methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-((3S,6S,9S,12R,13S)-6-(((4S)-2-imino-4-imidazolidinyl)methyl)-9,13-dimethyl-3-((1S)-1-methylpropyl) -2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl)-

Registry Numbers

CAS Registry Number

  • 1613225-53-8

FDA UNII

  • LC730GUE72

System Generated Number

  • 1613225538

Structure Descriptors

InChI

InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1

InChIKey

LMBFAGIMSUYTBN-MPZNNTNKSA-N

Smiles

CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]2[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](C[C@H]3CNC(=N)N3)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC