COLISTIN-1,3,5,9-TETRAMETHANESULFONIC A ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H108N16O25S4
Molecular Weight	1545.82
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COLISTIN-1,3,5,9-TETRAMETHANESULFONIC A ACID

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CCNCS(O)(=O)=O)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCNCS(O)(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCNCS(O)(=O)=O)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(O)(=O)=O)NC1=O)[C@@H](C)O

InChI

InChIKey=ZXYYNNMHQSUIER-UKUNXGILSA-N

InChI=1S/C57H108N16O25S4/c1-9-34(6)12-10-11-13-45(76)64-38(15-21-59-28-99(87,88)89)52(81)73-47(36(8)75)57(86)69-40(17-23-61-30-101(93,94)95)49(78)68-42-19-25-63-56(85)46(35(7)74)72-53(82)41(18-24-62-31-102(96,97)98)67-48(77)37(14-20-58)65-54(83)43(26-32(2)3)71-55(84)44(27-33(4)5)70-51(80)39(66-50(42)79)16-22-60-29-100(90,91)92/h32-44,46-47,59-62,74-75H,9-31,58H2,1-8H3,(H,63,85)(H,64,76)(H,65,83)(H,66,79)(H,67,77)(H,68,78)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)/t34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,46-,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H108N16O25S4
Molecular Weight	1545.82
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:15:55 UTC 2023` Edited by `admin` on `Sat Dec 16 08:15:55 UTC 2023`
Record UNII	76Z8VB787C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COLISTIN-1,3,5,9-TETRAMETHANESULFONIC A ACID

Common Name

English

POLYMYXIN E1, 1-(N2-(6-METHYL-1-OXOOCTYL)-N4-(SULFOMETHYL)-L-2,4-DIAMINOBUTANOIC ACID)-3-(N4-(SULFOMETHYL)-L-2,4-DIAMINOBUTANOIC ACID)-5-(N4-(SULFOMETHYL)-L-2,4-DIAMINOBUTANOIC ACID)-9-(N4-(SULFOMETHYL)-L-2,4-DIAMINOBUTANOIC ACID)-

Systematic Name

English

COLISTIN A, 1-(L-2-(6-METHYLOCTANAMIDO)-4-((SULFOMETHYL)AMINO)BUTYRIC ACID)-3-(L-2-AMINO-4-((SULFOMETHYL)AMINO)BUTYRIC ACID)-5-(L-2-AMINO-4-((SULFOMETHYL)AMINO)BUTYRIC ACID)-9-(L-2-AMINO-4-((SULFOMETHYL)AMINO)BUTYRIC ACID)-

Systematic Name

English

POLYMYXIN E1, 1-((2S)-2-((6-METHYL-1-OXOOCTYL)AMINO)-4-((SULFOMETHYL)AMINO)BUTANOIC ACID)-3-((2S)-2-AMINO-4-((SULFOMETHYL)AMINO)BUTANOIC ACID)-5-((2S)-2-AMINO-4-((SULFOMETHYL)AMINO)BUTANOIC ACID)-9-((2S)-2-AMINO-4-((SULFOMETHYL)AMINO)BUTANOIC ACID)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

112500431

Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023

PRIMARY

FDA UNII

76Z8VB787C

Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023

PRIMARY

CAS

30387-39-4

Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023

PRIMARY

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