POLYMYXIN B3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H96N16O13
Molecular Weight	1189.4523
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC(=O)[C@]([H])(CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCCCC)[C@@H](C)O

InChI

InChIKey=MUZYEKLWXWDOOD-RUDZPDEXSA-N

InChI=1S/C55H96N16O13/c1-6-7-8-9-13-16-43(74)62-35(17-23-56)50(79)71-45(33(5)73)55(84)67-38(20-26-59)47(76)66-40-22-28-61-54(83)44(32(4)72)70-51(80)39(21-27-60)64-46(75)36(18-24-57)65-52(81)41(29-31(2)3)68-53(82)42(30-34-14-11-10-12-15-34)69-48(77)37(19-25-58)63-49(40)78/h10-12,14-15,31-33,35-42,44-45,72-73H,6-9,13,16-30,56-60H2,1-5H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H96N16O13
Molecular Weight	1189.4523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:06:29 GMT 2025` Edited by `admin` on `Tue Apr 01 22:06:29 GMT 2025`
Record UNII	L194HGU2LD
Record Status	`FAILED`
Record Version

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Name

Type

Language

DPMB3

Preferred Name

English

POLYMYXIN B3

Common Name

English

POLYMYXIN B1, 1-((2S)-4-AMINO-2-((1-OXOOCTYL)AMINO)BUTANOIC ACID)-

Systematic Name

English

1-((2S)-4-AMINO-2-((1-OXOOCTYL)AMINO)BUTANOIC ACID)POLYMYXIN B1

Systematic Name

English

POLYMYXIN B1, 1-(N2-(1-OXOOCTYL)-L-2,4-DIAMINOBUTANOIC ACID)-

Systematic Name

English

Code System Code Type Description

CAS

71140-58-4

Created by admin on Tue Apr 01 22:06:29 GMT 2025 , Edited by admin on Tue Apr 01 22:06:29 GMT 2025

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PUBCHEM

46883542

Created by admin on Tue Apr 01 22:06:29 GMT 2025 , Edited by admin on Tue Apr 01 22:06:29 GMT 2025

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FDA UNII

L194HGU2LD

Created by admin on Tue Apr 01 22:06:29 GMT 2025 , Edited by admin on Tue Apr 01 22:06:29 GMT 2025

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