POLYMYXIN B3 SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H96N16O13.H2O4S
Molecular Weight	1287.529
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[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=YUONVAMUPJAQAD-XYAYNPGCSA-N

InChI=1S/C55H96N16O13.H2O4S/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;1-5(2,3)4/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);(H2,1,2,3,4)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C55H96N16O13
Molecular Weight	1189.4501
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	3
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:29 GMT 2023` Edited by `admin` on `Sat Dec 16 14:04:29 GMT 2023`
Record UNII	OX33D25IUN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POLYMYXIN B3 SULFATE

Common Name

English

Code System Code Type Description

FDA UNII

OX33D25IUN

Created by admin on Sat Dec 16 14:04:29 GMT 2023 , Edited by admin on Sat Dec 16 14:04:29 GMT 2023

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PUBCHEM

133082185

Created by admin on Sat Dec 16 14:04:29 GMT 2023 , Edited by admin on Sat Dec 16 14:04:29 GMT 2023

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