TEIXOBACTIN

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 Search

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:36:08 GMT 2023` Edited by `admin` on `Sat Dec 16 09:36:08 GMT 2023`
Record UNII	LC730GUE72
Record Status	`Validated (UNII)`
Record Version

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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