BACITRACIN H3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H96N16O17S
Molecular Weight	1405.62
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CC3=CC=CC=C3)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C4=CSC(=N4)C(=O)[C@@H](C)CC)C(C)C

InChI

InChIKey=OGICFVCYFYFANS-XMMRDIHPSA-N

InChI=1S/C65H96N16O17S/c1-9-35(7)52-64(98)78-43(26-37-17-12-11-13-18-37)59(93)75-44(27-38-30-68-32-70-38)60(94)77-46(29-50(85)86)61(95)76-45(28-48(67)82)54(88)69-24-15-14-19-39(55(89)71-40(20-16-23-66)56(90)81-52)73-63(97)51(34(5)6)80-57(91)41(21-22-49(83)84)72-58(92)42(25-33(3)4)74-62(96)47-31-99-65(79-47)53(87)36(8)10-2/h11-13,17-18,30-36,39-46,51-52H,9-10,14-16,19-29,66H2,1-8H3,(H2,67,82)(H,68,70)(H,69,88)(H,71,89)(H,72,92)(H,73,97)(H,74,96)(H,75,93)(H,76,95)(H,77,94)(H,78,98)(H,80,91)(H,81,90)(H,83,84)(H,85,86)/t35-,36-,39-,40+,41+,42-,43+,44-,45-,46+,51-,52-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C65H96N16O17S
Molecular Weight	1405.62
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 10:37:46 GMT 2025` Edited by `admin` on `Wed Apr 02 10:37:46 GMT 2025`
Record UNII	H3W3MMK3FT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACITRACIN H3

Common Name

English

BACITRACIN F, 3-L-VALINE-

Preferred Name

English

4,10-ANHYDRO(N-((2-((2S)-2-METHYL-1-OXOBUTYL)-1,3-THIAZOL-4-YL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-L-ASPARAGINE)

Systematic Name

English

L-ASPARAGINE, N-((2-((2S)-2-METHYL-1-OXOBUTYL)-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM

Systematic Name

English

BACITRACIN IMPURITY H [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

H3W3MMK3FT

Created by admin on Wed Apr 02 10:37:46 GMT 2025 , Edited by admin on Wed Apr 02 10:37:46 GMT 2025

PRIMARY

CAS

144572-55-4

Created by admin on Wed Apr 02 10:37:46 GMT 2025 , Edited by admin on Wed Apr 02 10:37:46 GMT 2025

PRIMARY

PUBCHEM

156613888

Created by admin on Wed Apr 02 10:37:46 GMT 2025 , Edited by admin on Wed Apr 02 10:37:46 GMT 2025

PRIMARY

Related Record Type Details


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Bacitracin

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: