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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H95N15O15
Molecular Weight 1242.4664
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEIXOBACTIN

SMILES

[H][C@]1(NC(=O)[C@H](C[C@H]2CNC(=N)N2)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](CC3=CC=CC=C3)NC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC1=O)[C@@H](C)CC

InChI

InChIKey=LMBFAGIMSUYTBN-MPZNNTNKSA-N
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

HIDE SMILES / InChI

Molecular Formula C58H95N15O15
Molecular Weight 1242.4664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:06:05 UTC 2023
Edited
by admin
on Thu Jul 06 15:06:05 UTC 2023
Record UNII
LC730GUE72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEIXOBACTIN
Common Name English
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-
Systematic Name English
TEIXOBACTIN [MI]
Common Name English
Code System Code Type Description
CAS
1613225-52-7
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
86341926
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID901032110
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
CAS
1613225-53-8
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
FDA UNII
LC730GUE72
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
WIKIPEDIA
Teixobactin
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
MERCK INDEX
M12009
Created by admin on Thu Jul 06 15:06:05 UTC 2023 , Edited by admin on Thu Jul 06 15:06:05 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY