BACITRACIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H97N17O16S
Molecular Weight	1380.614
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI=1S/C63H97N17O16S/c1-31(2)23-40(73-60(94)45-29-97-63(78-45)49(66)32(3)4)56(90)71-39(19-20-47(82)83)55(89)80-50(33(5)6)61(95)72-37-17-12-13-22-68-52(86)43(26-46(65)81)75-59(93)44(27-48(84)85)76-58(92)42(25-36-28-67-30-69-36)74-57(91)41(24-35-15-10-9-11-16-35)77-62(96)51(34(7)8)79-54(88)38(18-14-21-64)70-53(37)87/h9-11,15-16,28,30-34,37-45,49-51H,12-14,17-27,29,64,66H2,1-8H3,(H2,65,81)(H,67,69)(H,68,86)(H,70,87)(H,71,90)(H,72,95)(H,73,94)(H,74,91)(H,75,93)(H,76,92)(H,77,96)(H,79,88)(H,80,89)(H,82,83)(H,84,85)/t37-,38+,39+,40-,41+,42-,43-,44+,45-,49-,50-,51-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C63H97N17O16S
Molecular Weight	1380.614
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:20:22 GMT 2025` Edited by `admin` on `Wed Apr 02 12:20:22 GMT 2025`
Record UNII	8AFV4A7SHM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACITRACIN IMPURITY D [EP IMPURITY]

Preferred Name

English

BACITRACIN E

Common 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-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-VALYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-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-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-VALYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM

Systematic Name

English

Code System Code Type Description

PUBCHEM

171390007

Created by admin on Wed Apr 02 12:20:22 GMT 2025 , Edited by admin on Wed Apr 02 12:20:22 GMT 2025

PRIMARY

CAS

1403-02-7

Created by admin on Wed Apr 02 12:20:22 GMT 2025 , Edited by admin on Wed Apr 02 12:20:22 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

8AFV4A7SHM

Created by admin on Wed Apr 02 12:20:22 GMT 2025 , Edited by admin on Wed Apr 02 12:20:22 GMT 2025

PRIMARY

Related Record Type Details


					58H6RWO52I

Bacitracin

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: