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

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(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=PZJVSTTVMXPZCJ-NXISNYNLSA-N

InChI=1S/C64H99N17O16S/c1-9-35(8)50(67)64-79-46(30-98-64)61(95)74-41(24-32(2)3)57(91)72-40(20-21-48(83)84)56(90)81-51(33(4)5)62(96)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)78-63(97)52(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,73,96)(H,74,95)(H,75,92)(H,76,94)(H,77,93)(H,78,97)(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	ABSOLUTE
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 11:28:27 GMT 2025` Edited by `admin` on `Wed Apr 02 11:28:27 GMT 2025`
Record UNII	65Y4UDB7HJ
Record Status	`FAILED`
Record Version

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Name

Type

Language

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

Systematic Name

English

BACITRACIN IMPURITY C [EP IMPURITY]

Preferred Name

English

Bacitracin D<sub>3</sub>

Common Name

English

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

Systematic Name

English

Bacitracin C<sub>1a</sub>

Common Name

English

Code System Code Type Description

CAS

144572-46-3

Created by admin on Wed Apr 02 11:28:27 GMT 2025 , Edited by admin on Wed Apr 02 11:28:27 GMT 2025

PRIMARY

FDA UNII

65Y4UDB7HJ

Created by admin on Wed Apr 02 11:28:27 GMT 2025 , Edited by admin on Wed Apr 02 11:28:27 GMT 2025

PRIMARY

Related Record Type Details


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Bacitracin

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: