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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C64H99N17O16S
Molecular Weight	1394.6438
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC(=N1)[C@@H](N)C(C)C)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(C)C

InChI

InChIKey=CHLOWYWCJJLLHA-NXISNYNLSA-N

InChI=1S/C64H99N17O16S/c1-9-35(8)52(81-56(90)40(20-21-48(83)84)72-57(91)41(24-32(2)3)74-61(95)46-30-98-64(79-46)50(67)33(4)5)63(97)73-38-18-13-14-23-69-53(87)44(27-47(66)82)76-60(94)45(28-49(85)86)77-59(93)43(26-37-29-68-31-70-37)75-58(92)42(25-36-16-11-10-12-17-36)78-62(96)51(34(6)7)80-55(89)39(19-15-22-65)71-54(38)88/h10-12,16-17,29,31-35,38-46,50-52H,9,13-15,18-28,30,65,67H2,1-8H3,(H2,66,82)(H,68,70)(H,69,87)(H,71,88)(H,72,91)(H,73,97)(H,74,95)(H,75,92)(H,76,94)(H,77,93)(H,78,96)(H,80,89)(H,81,90)(H,83,84)(H,85,86)/t35-,38-,39+,40+,41-,42+,43-,44-,45+,46-,50-,51-,52-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C64H99N17O16S
Molecular Weight	1394.6438
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:23:11 GMT 2025` Edited by `admin` on `Wed Apr 02 13:23:11 GMT 2025`
Record UNII	2Z7FA2NR3G
Record Status	`FAILED`
Record Version

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Name

Type

Language

BACITRACIN IMPURITY A [EP IMPURITY]

Preferred Name

English

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

Systematic Name

English

L-Asparagine, N-[[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucyl-D-?-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-valyl-D-phenylalanyl-L-histidyl-D-?-aspartyl-, (10?4)-lactam

Systematic Name

English

Bacitracin C2

Common Name

English

Bacitracin D1

Common Name

English

Code System Code Type Description

CAS

149146-34-9

Created by admin on Wed Apr 02 13:23:11 GMT 2025 , Edited by admin on Wed Apr 02 13:23:11 GMT 2025

PRIMARY

FDA UNII

2Z7FA2NR3G

Created by admin on Wed Apr 02 13:23:11 GMT 2025 , Edited by admin on Wed Apr 02 13:23:11 GMT 2025

PRIMARY

Related Record Type Details


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Bacitracin

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: