BACITRACIN X

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H103N17O16S
Molecular Weight	1422.697
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC

InChI

InChIKey=CLKOFPXJLQSYAH-OKZPNILTSA-N

InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52+,53-,54-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BACITRACIN IMPURITY L [EP IMPURITY]

Preferred Name

English

BACITRACIN X

Common Name

English

4,10-anhydro[N-[[(4R)-2-[(1R,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]carbonyl]-L-leucyl-D-?-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-?-aspartyl-L-asparagine]

Systematic Name

English

Code System Code Type Description

FDA UNII

FAD7WHW8MC

Created by admin on Wed Apr 02 11:12:53 GMT 2025 , Edited by admin on Wed Apr 02 11:12:53 GMT 2025

PRIMARY

SUBSTANCE RECORD


					FAD7WHW8MC

BACITRACIN X